Trimethyl(vinyl)silane

Introduction

CAS No. :	754-05-2	MDL No. :	MFCD00008606
Formula :	C5H12Si	Boiling Point :	No data available
Linear Structure Formula :	((CH3)3Si)CHCH2	InChI Key :	GCSJLQSCSDMKTP-UHFFFAOYSA-N
M.W :	100.23	Pubchem ID :	79102
Synonyms :		Chemical Name :	Trimethyl(vinyl)silane

Physicochemical Properties

Num. heavy atoms :	6
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	1
Num. H-bond acceptors :	0.0
Num. H-bond donors :	0.0
Molar Refractivity :	33.54
TPSA :	0.0 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-4.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.33
Log Po/w (XLOGP3) :	2.87
Log Po/w (WLOGP) :	2.05
Log Po/w (MLOGP) :	2.08
Log Po/w (SILICOS-IT) :	-0.01
Consensus Log Po/w :	1.86

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.2
Solubility :	0.627 mg/ml ; 0.00626 mol/l
Class :	Soluble
Log S (Ali) :	-2.53
Solubility :	0.296 mg/ml ; 0.00296 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.51
Solubility :	3.08 mg/ml ; 0.0307 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.02

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P280-P301+P312+P330-P305+P351+P338-P370+P378-P403+P235	UN#:	1993
Hazard Statements:	H225-H302-H315-H319-H335-H351	Packing Group:	Ⅱ
GHS Pictogram:

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