InChI=1/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3

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Search term: UQEAIHBTYFGYIE-UHFFFAOYAL
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Inherent Properties, Identifiers and References

ChemSpider ID:	23150
Empirical Formula:	C₆H₁₈OSi₂
Molecular Weight:	162.3775
Nominal Mass:	162 Da
Average Mass:	162.3775 Da
Monoisotopic Mass:	162.089617 Da

Systematic Name:

trimethyl-trimethylsilyloxy-silane

SMILES:

O([Si](C)(C)C)[Si](C)(C)C

InChI:

InChI=1/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3

InChIKey:

UQEAIHBTYFGYIE-UHFFFAOYAL

Std. InChI:

InChI=1S/C6H18OSi2/c1-8(2,3)7-9(4,5)6/h1-6H3

Std. InChIKey:

UQEAIHBTYFGYIE-UHFFFAOYSA-N

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experimental physchem properties

Melting Point: -67

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: -67

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Melting Point: -59 C

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Boiling Point: 100-101

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 100-101

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Boiling Point: 101 C

The boiling point of a liquid is the temperature at which the vapor pressure of the liquid equals the environmental pressure surrounding the liquid. See also: Boiling Point

Flash Point: -2(28F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: -2(28F)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Flash Point: 1 C (closed cup)

The flash point of a flammable liquid is the lowest temperature at which it can form an ignitable mixture in air. See also: Flash Point

Specific Gravity: 0.764

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Specific Gravity: 0.764

Specific gravity is defined as the ratio of the density of a given substance to the density of water, when both are at the same temperature. See also: Specific Gravity

Refraction Index: 1.3770

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

Refraction Index: 1.3770

The refractive index (or index of refraction) of a medium is a measure for how much the speed of light (or other waves such as sound waves) is reduced inside the medium. See also: Refraction Index

miscellaneous

Appearance: colourless liquid

Visual appearance of the given substance.

Stability: Stable, but moisture sensitive. Highly flammable.Incompatible with strong acids, strong bases, oxidizing agents.

Chemical stability occurs when a substance is in a (dynamic) chemical equilibrium with its environment. See also: Chemical Stability

Safety: DANGER: FLAMMABLE, irritates skin and eyes

See Chemical Safety

Safety: FLAMMABLE

See Chemical Safety

Safety: Safety glasses, good ventilation. Remove sources of ignition fromthe working area.

See Chemical Safety

Names and Synonyms

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Bis(trimethylsilyl) ether

disiloxane, 1,1,1,3,3,3-hexamethyl-

Hexamethyldisiloxane [Wiki]

107-46-0 [RN]

203-492-7 [EINECS/ELINCS]

9006-65-9 [RN]

alpha-(Trimethylsilyl)-omega-methylpoly(oxy(dimethylsilylene))

Belsil DM 0.65

Belsil DM 1000

Bis(trimethylsilyl) oxide

More...

Database ID(s)

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

ACD/Labs Predicted Properties

ACD/LogP:	4.21	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	4.2	ACD/LogD (pH 7.4):	4.2
ACD/BCF (pH 5.5):	923.51	ACD/BCF (pH 7.4):	923.51
ACD/KOC (pH 5.5):	4615.97	ACD/KOC (pH 7.4):	4615.97
#H bond acceptors:	1	#H bond donors:	0
#Freely Rotating Bonds:	2	Polar Surface Area:	9.23 Å²
Index of Refraction:	1.393	Molar Refractivity:	49.02 cm³
Molar Volume:	205.4 cm³	Polarizability:	19.43 10^-24cm³
Surface Tension:	15.6 dyne/cm	Density:	0.79 g/cm³
Flash Point:	7.7 °C	Enthalpy of Vaporization:	32.61 kJ/mol
Boiling Point:	100.9 °C at 760 mmHg	Vapour Pressure:	41.4 mmHg at 25°C

MeSH

EPI Summary

            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  4.76
    Log Kow (Exper. database match) =  4.20
       Exper. Ref:  Sangster (1994)

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  87.60  (Adapted Stein & Brown method)
    Melting Pt (deg C):  -79.14  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  39.1  (Mean VP of Antoine & Grain methods)
    MP  (exp database):  -66 deg C
    BP  (exp database):  99 deg C
    VP  (exp database):  4.21E+01 mm Hg at 25 deg C

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  2.881
       log Kow used: 4.20 (expkow database)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1.3556 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Neutral Organics

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.04E-001  atm-m3/mole
   Group Method:   Incomplete
   Exper Database: 4.50E+00  atm-m3/mole
 Henrys LC [VP/WSol estimate using EPI values]:  2.900E+000 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  4.20  (exp database)
  Log Kaw used:  2.265  (exp database)
      Log Koa (KOAWIN v1.10 estimate):  1.935
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :   0.6702
   Biowin2 (Non-Linear Model)     :   0.6688
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.8403  (weeks       )
   Biowin4 (Primary Survey Model) :   3.6135  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2315
   Biowin6 (MITI Non-Linear Model):   0.1145
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model):  0.3587
 Ready Biodegradability Prediction:   NO

Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!

 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  5.61E+003 Pa (42.1 mm Hg)
  Log Koa (Koawin est  ): 1.935
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  5.34E-010 
       Octanol/air (Koa) model:  2.11E-011 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  1.93E-008 
       Mackay model           :  4.28E-008 
       Octanol/air (Koa) model:  1.69E-009 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =   0.8976 E-12 cm3/molecule-sec
      Half-Life =    11.916 Days (12-hr day; 1.5E6 OH/cm3)
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 3.1E-008 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  393.3
      Log Koc:  2.595 

 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v1.67]:
    Rate constants can NOT be estimated for this structure!

 Bioaccumulation Estimates from Log Kow (BCFWIN v2.17):
   Log BCF from regression-based method = 2.534 (BCF = 342)
       log Kow used: 4.20 (expkow database)

 Volatilization from Water:
    Henry LC:  4.5 atm-m3/mole  (Henry experimental database)
    Half-Life from Model River:        1.3  hours
    Half-Life from Model Lake :        121  hours   (5.043 days)

 Removal In Wastewater Treatment (recommended maximum 95%):
    Total removal:              99.95  percent
    Total biodegradation:        0.08  percent
    Total sludge adsorption:    23.23  percent
    Total to Air:               76.64  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       43.6            186          1000       
   Water     45              360          1000       
   Soil      2.56            720          1000       
   Sediment  8.87            3.24e+003    0          
     Persistence Time: 136 hr

SimBioSys LASSO

Descriptors: 0, 0, 0, 0, 0, 0, 0, 2, 0, 0, 0, 0, 18, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0, 0

Category	Target	PDB Code	LASSO Score
Nuclear Hormone Receptors	AR, androgen receptor	1xq2	0.42
Nuclear Hormone Receptors	ER, estrogen receptor; agonist	1l2i	0.36
Nuclear Hormone Receptors	GR, glucocorticoid receptor	1m2z	0.10
Metalloenzymes	ADA, adenosine deaminase	1stw	0.05
Metalloenzymes	ACE, angiotensin-converting enzyme	1o86	0.03
Nuclear Hormone Receptors	RXRa, retinoic X receptor R	1mvc	0.03
Nuclear Hormone Receptors	PPARg, peroxisome proliferator activated receptor	1fm9	0.03
Nuclear Hormone Receptors	MR, mineralocorticoid receptor	2aa2	0.01
Other Enzymes	HIVPR, HIV protease	1hpx	0.01
Kinases	SRC, tyrosine kinase SRC	2src	0.01
Serine Proteases	Thrombin	1ba8	0.01
Other Enzymes	HMGR, hydroxymethylglutaryl-CoA reductase	1hw8	0.01
Kinases	TK, thymidine kinase	1kim	0.01
Metalloenzymes	PDE5, phosphodiesterase 5	1xp0	0.01
Nuclear Hormone Receptors	PR, progesterone receptor	1sr7	0.01
Other Enzymes	PARP, poly(ADP-ribose) polymerase	1efy	0.01
Other Enzymes	PNP, purine nucleoside phosphorylase	1b8o	0.00
Other Enzymes	AmpC, AmpC beta-lactamase	1xgj	0.00
Folate Enzymes	DHFR, dihydrofolate reductase	3dfr	0.00
Other Enzymes	HIVRT, HIV reverse transcriptase	1rt1	0.00
Other Enzymes	NA, neuraminidase	1a4g	0.00
Serine Proteases	Trypsin	1bju	0.00
Kinases	VEGFr2, vascular endothelial growth factor receptor	1vr2	0.00
Other Enzymes	GPB, glycogen phosphorylase	1a8i	0.00
Other Enzymes	SAHH, S-adenosyl-homocysteine hydrolase	1a7a	0.00
Kinases	FGFr1, fibroblast growth factor receptor kinase	1agw	0.00
Other Enzymes	InhA, enoyl ACP reductase	1p44	0.00
Other Enzymes	COX-2, cyclooxygenase-2	1cx2	0.00
Metalloenzymes	COMT, catechol O-methyltransferase	1h1d	0.00
Other Enzymes	ALR2, aldose reductase	1ah3	0.00
Kinases	CDK2, cyclindependent kinase 2	1ckp	0.00
Other Enzymes	COX-1, cyclooxygenase-1	1p4g	0.00
Kinases	P38 MAP, P38 mitogen activated protein	1kv2	0.00
Nuclear Hormone Receptors	ER, estrogen receptor; antagonist	3ert	0.00
Folate Enzymes	GART, glycinamide ribonucleotide transformylase	1c2t	0.00
Kinases	PDGFrb, platelet derived growth factor receptor kinase	N/A	0.00
Kinases	HSP90, human heat shock protein 90	1uy6	0.00
Serine Proteases	FXa, factor Xa	1f0r	0.00
Kinases	EGFr, epidermal growth factor receptor	1m17	0.00
Other Enzymes	AChE, acetylcholinesterase	1eve	0.00