Dimethoxy(methyl)(vinyl)silane

Introduction

CAS No. :	16753-62-1	MDL No. :	MFCD00129170
Formula :	C5H12O2Si	Boiling Point :	-
Linear Structure Formula :	CH2CHSi(OCH3)2(CH3)	InChI Key :	ZLNAFSPCNATQPQ-UHFFFAOYSA-N
M.W :	132.23	Pubchem ID :	85589
Synonyms :

Physicochemical Properties

Num. heavy atoms :	8
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.6
Num. rotatable bonds :	3
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	35.71
TPSA :	18.46 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.02 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.24
Log Po/w (XLOGP3) :	1.53
Log Po/w (WLOGP) :	1.08
Log Po/w (MLOGP) :	0.08
Log Po/w (SILICOS-IT) :	-0.68
Consensus Log Po/w :	0.85

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-1.43
Solubility :	4.96 mg/ml ; 0.0375 mol/l
Class :	Very soluble
Log S (Ali) :	-1.53
Solubility :	3.93 mg/ml ; 0.0297 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.04
Solubility :	12.1 mg/ml ; 0.0916 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.79

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P261-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

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