2-[(Dimethylsilyl)oxy]-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane

ChemSpider ID: 13563047
Molecular Formula: C₇H₂₂O₄Si₄
Monoisotopic mass: 282.059509 Da
Systematic name

2-[(Dimethylsilyl)oxy]-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
SMILES and InChIs

SMILES:

C[SiH](C)O[Si]1(C)O[Si](C)(C)O[Si](C)(C)O1 Copied

Std. InChI:

InChI=1S/C7H22O4Si4/c1-12(2)8-15(7)10-13(3,4)9-14(5,6)11-15/h12H,1-7H3 Copied

Std. InChIKey:

CMKOYWUWLPXFPR-UHFFFAOYSA-N Copied

ChemSpider Searches

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:	4	#H bond donors:	0
#Freely Rotating Bonds:	2	Polar Surface Area:	36.92 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	59.234 °C	Enthalpy of Vaporization:	39.381 kJ/mol
Boiling Point:	174.331 °C at 760 mmHg	Vapour Pressure:	1.62399995326996 mmHg at 25°C

Click to predict properties on the Chemicalize site

Spectra

CIFs

Patents

Pharmacological Links

SimBioSys LASSO

Category	Target	PDB Code	LASSO Score
Metalloenzymes	ADA, adenosine deaminase	1stw	0.33
Nuclear Hormone Receptors	GR, glucocorticoid receptor	1m2z	0.10
Metalloenzymes	ACE, angiotensin-converting enzyme	1o86	0.03
Nuclear Hormone Receptors	PPARg, peroxisome proliferator activated receptor	1fm9	0.03
Nuclear Hormone Receptors	AR, androgen receptor	1xq2	0.02
Kinases	TK, thymidine kinase	1kim	0.02
Other Enzymes	HIVPR, HIV protease	1hpx	0.02
Kinases	SRC, tyrosine kinase SRC	2src	0.01
Other Enzymes	HMGR, hydroxymethylglutaryl-CoA reductase	1hw8	0.01
Kinases	HSP90, human heat shock protein 90	1uy6	0.01
Metalloenzymes	PDE5, phosphodiesterase 5	1xp0	0.01
Nuclear Hormone Receptors	MR, mineralocorticoid receptor	2aa2	0.01
Other Enzymes	COX-1, cyclooxygenase-1	1p4g	0.01
Serine Proteases	Thrombin	1ba8	0.01
Other Enzymes	PARP, poly(ADP-ribose) polymerase	1efy	0.01
Other Enzymes	PNP, purine nucleoside phosphorylase	1b8o	0.00
Nuclear Hormone Receptors	RXRa, retinoic X receptor R	1mvc	0.00
Other Enzymes	AmpC, AmpC beta-lactamase	1xgj	0.00
Other Enzymes	ALR2, aldose reductase	1ah3	0.00
Nuclear Hormone Receptors	ER, estrogen receptor; agonist	1l2i	0.00
Nuclear Hormone Receptors	PR, progesterone receptor	1sr7	0.00
Folate Enzymes	DHFR, dihydrofolate reductase	3dfr	0.00
Other Enzymes	HIVRT, HIV reverse transcriptase	1rt1	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	NA, neuraminidase	1a4g	0.00
Other Enzymes	COX-2, cyclooxygenase-2	1cx2	0.00
Kinases	CDK2, cyclindependent kinase 2	1ckp	0.00
Kinases	P38 MAP, P38 mitogen activated protein	1kv2	0.00
Other Enzymes	AChE, acetylcholinesterase	1eve	0.00
Folate Enzymes	GART, glycinamide ribonucleotide transformylase	1c2t	0.00
Kinases	PDGFrb, platelet derived growth factor receptor kinase	N/A	0.00
Metalloenzymes	COMT, catechol O-methyltransferase	1h1d	0.00
Serine Proteases	FXa, factor Xa	1f0r	0.00
Kinases	EGFr, epidermal growth factor receptor	1m17	0.00

Generate Leads

Want to comment
on this record?

2-[(Dimethylsilyl)oxy]-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane

SMILES:

Std. InChI:

Std. InChIKey:

ChemSpider Searches

Search ChemSpider for:

Search external sites for this structure:

Properties

Spectra

CIFs

Patents

Pharmacological Links

SimBioSys LASSO

Want to commenton this record?

2-[(Dimethylsilyl)oxy]-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane

SMILES:

Std. InChI:

Std. InChIKey:

ChemSpider Searches

Search ChemSpider for:

Search external sites for this structure:

Properties

Spectra

CIFs

Patents

Pharmacological Links

SimBioSys LASSO

Want to comment
on this record?