InChI=1/C10H24O6Si/c1-11-5-8-14-17(4,15-9-6-12-2)16-10-7-13-3/h5-10H2,1-4H3

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

ChemSpider ID:	78830
Empirical Formula:	C₁₀H₂₄O₆Si
Molecular Weight:	268.3795
Nominal Mass:	268 Da
Average Mass:	268.3795 Da
Monoisotopic Mass:	268.134214 Da

Systematic Name:

tris(2-methoxyethoxy)-methyl-silane

SMILES:

O(CCOC)[Si](OCCOC)(OCCOC)C

InChI:

InChI=1/C10H24O6Si/c1-11-5-8-14-17(4,15-9-6-12-2)16-10-7-13-3/h5-10H2,1-4H3

InChIKey:

OLTVTFUBQOLTND-UHFFFAOYAL

Std. InChI:

InChI=1S/C10H24O6Si/c1-11-5-8-14-17(4,15-9-6-12-2)16-10-7-13-3/h5-10H2,1-4H3

Std. InChIKey:

OLTVTFUBQOLTND-UHFFFAOYSA-N

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Supplemental Information

User Data

experimental physchem properties

Specific Gravity: 1.045

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: 1.4178

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

predicted physchem properties

Boiling Point: 145 / 15

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

Names and Synonyms

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

2,5,7,10-tetraoxa-6-silaundecane, 6-(2-methoxyethoxy)-6-methyl-

241-906-8 [EINECS/ELINCS]

6-(2-Methoxyethoxy)-6-methyl-2,5,7,10-tetraoxa-6-silaundecane

Methyltris(2-methoxyethoxy)silane

17980-64-2 [RN]

2,5,7, 10-Tetraoxa-6-silaundecane, 6- (2-methoxyethoxy)-6-methyl-

2,5,7,10-Tetraoxa-6-silaundecane,6-(2-methoxyethoxy)-6-methyl-

6-(2-Methoxyethoxy)-6-methyl-2,5,7,10-tetraoxa-6-silaundecan

METHYLTRIS(METHOXYETHOXY)SILANE

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:	0.17	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.17	ACD/LogD (pH 7.4):	0.17
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	29.35	ACD/KOC (pH 7.4):	29.35
#H bond acceptors:	6	#H bond donors:	0
#Freely Rotating Bonds:	12	Polar Surface Area:	55.38 Å²
Index of Refraction:	1.419	Molar Refractivity:	67.56 cm³
Molar Volume:	267.5 cm³	Polarizability:	26.78 10^-24cm³
Surface Tension:	26.5 dyne/cm	Density:	1.003 g/cm³
Flash Point:	96.1 °C	Enthalpy of Vaporization:	49.01 kJ/mol
Boiling Point:	272.3 °C at 760 mmHg	Vapour Pressure:	0.0102 mmHg at 25°C

EPI Summary

            
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  -1.49

 Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPWIN v1.42):
    Boiling Pt (deg C):  280.42  (Adapted Stein & Brown method)
    Melting Pt (deg C):  60.31  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00257  (Modified Grain method)
    Subcooled liquid VP: 0.00548 mm Hg (25 deg C, Mod-Grain method)

 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  3.528e+005
       log Kow used: -1.49 (estimated)
       no-melting pt equation used

 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  1e+006 mg/L

 ECOSAR Class Program (ECOSAR v0.99h):
    Class(es) found:
       Silanes (alkoxy)

 Henrys Law Constant (25 deg C) [HENRYWIN v3.10]:
   Bond Method :   3.25E-010  atm-m3/mole
   Group Method:   Incomplete
 Henrys LC [VP/WSol estimate using EPI values]:  2.572E-009 atm-m3/mole

 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  -1.49  (KowWin est)
  Log Kaw used:  -7.877  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.387
      Log Koa (experimental database):  None

 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.4223
   Biowin2 (Non-Linear Model)     :   0.0000
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.5801  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.4313  (days-weeks  )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.2162
   Biowin6 (MITI Non-Linear Model):   0.0527
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -0.0980
 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):  0.731 Pa (0.00548 mm Hg)
  Log Koa (Koawin est  ): 6.387
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  4.11E-006 
       Octanol/air (Koa) model:  5.98E-007 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  0.000148 
       Mackay model           :  0.000328 
       Octanol/air (Koa) model:  4.79E-005 

 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant =  44.6852 E-12 cm3/molecule-sec
      Half-Life =     0.239 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     2.872 Hrs
   Ozone Reaction:
      No Ozone Reaction Estimation
   Fraction sorbed to airborne particulates (phi): 0.000238 (Junge,Mackay)
    Note: the sorbed fraction may be resistant to atmospheric oxidation

 Soil Adsorption Coefficient (PCKOCWIN v1.66):
      Koc    :  15.17
      Log Koc:  1.181 

 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 = 0.500 (BCF = 3.162)
       log Kow used: -1.49 (estimated)

 Volatilization from Water:
    Henry LC:  3.25E-010 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River: 2.951E+006  hours   (1.23E+005 days)
    Half-Life from Model Lake :  3.22E+007  hours   (1.341E+006 days)

 Removal In Wastewater Treatment:
    Total removal:               1.85  percent
    Total biodegradation:        0.09  percent
    Total sludge adsorption:     1.75  percent
    Total to Air:                0.00  percent
      (using 10000 hr Bio P,A,S)

 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.00452         5.75         1000       
   Water     46.5            900          1000       
   Soil      53.4            1.8e+003     1000       
   Sediment  0.0893          8.1e+003     0          
     Persistence Time: 966 hr

SimBioSys LASSO

Descriptors: 0, 0, 0, 0, 0, 0, 0, 12, 0, 0, 0, 0, 3, 0, 21, 0, 0, 0, 0, 0, 0, 0, 0, 0

Category	Target	PDB Code	LASSO Score
Kinases	TK, thymidine kinase	1kim	0.07
Nuclear Hormone Receptors	PPARg, peroxisome proliferator activated receptor	1fm9	0.03
Other Enzymes	PARP, poly(ADP-ribose) polymerase	1efy	0.01
Kinases	SRC, tyrosine kinase SRC	2src	0.01
Other Enzymes	HMGR, hydroxymethylglutaryl-CoA reductase	1hw8	0.01
Other Enzymes	HIVPR, HIV protease	1hpx	0.01
Kinases	HSP90, human heat shock protein 90	1uy6	0.01
Metalloenzymes	PDE5, phosphodiesterase 5	1xp0	0.01
Other Enzymes	GPB, glycogen phosphorylase	1a8i	0.01
Nuclear Hormone Receptors	MR, mineralocorticoid receptor	2aa2	0.01
Metalloenzymes	ADA, adenosine deaminase	1stw	0.01
Other Enzymes	PNP, purine nucleoside phosphorylase	1b8o	0.01
Nuclear Hormone Receptors	GR, glucocorticoid receptor	1m2z	0.00
Other Enzymes	AmpC, AmpC beta-lactamase	1xgj	0.00
Metalloenzymes	ACE, angiotensin-converting enzyme	1o86	0.00
Nuclear Hormone Receptors	ER, estrogen receptor; agonist	1l2i	0.00
Folate Enzymes	GART, glycinamide ribonucleotide transformylase	1c2t	0.00
Nuclear Hormone Receptors	PR, progesterone receptor	1sr7	0.00
Folate Enzymes	DHFR, dihydrofolate reductase	3dfr	0.00
Kinases	CDK2, cyclindependent kinase 2	1ckp	0.00
Kinases	VEGFr2, vascular endothelial growth factor receptor	1vr2	0.00
Other Enzymes	NA, neuraminidase	1a4g	0.00
Kinases	FGFr1, fibroblast growth factor receptor kinase	1agw	0.00
Kinases	PDGFrb, platelet derived growth factor receptor kinase	N/A	0.00
Other Enzymes	InhA, enoyl ACP reductase	1p44	0.00
Other Enzymes	AChE, acetylcholinesterase	1eve	0.00
Other Enzymes	SAHH, S-adenosyl-homocysteine hydrolase	1a7a	0.00
Nuclear Hormone Receptors	RXRa, retinoic X receptor R	1mvc	0.00
Nuclear Hormone Receptors	AR, androgen receptor	1xq2	0.00
Nuclear Hormone Receptors	ER, estrogen receptor; antagonist	3ert	0.00
Serine Proteases	FXa, factor Xa	1f0r	0.00
Kinases	EGFr, epidermal growth factor receptor	1m17	0.00
Other Enzymes	ALR2, aldose reductase	1ah3	0.00
Metalloenzymes	COMT, catechol O-methyltransferase	1h1d	0.00
Other Enzymes	COX-1, cyclooxygenase-1	1p4g	0.00
Other Enzymes	COX-2, cyclooxygenase-2	1cx2	0.00
Serine Proteases	Thrombin	1ba8	0.00
Kinases	P38 MAP, P38 mitogen activated protein	1kv2	0.00
Other Enzymes	HIVRT, HIV reverse transcriptase	1rt1	0.00
Serine Proteases	Trypsin	1bju	0.00