Tris(2-methoxyethoxy)(vinyl)silane

Introduction

CAS No. :	1067-53-4	MDL No. :	MFCD00008500
Formula :	C11H24O6Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	WOXXJEVNDJOOLV-UHFFFAOYSA-N
M.W :	280.39	Pubchem ID :	14025
Synonyms :

Physicochemical Properties

Num. heavy atoms :	18
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.82
Num. rotatable bonds :	13
Num. H-bond acceptors :	6.0
Num. H-bond donors :	0.0
Molar Refractivity :	68.89
TPSA :	55.38 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) :	-7.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.48
Log Po/w (XLOGP3) :	0.67
Log Po/w (WLOGP) :	0.64
Log Po/w (MLOGP) :	-1.31
Log Po/w (SILICOS-IT) :	0.23
Consensus Log Po/w :	0.74

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.14
Solubility :	20.2 mg/ml ; 0.072 mol/l
Class :	Very soluble
Log S (Ali) :	-1.41
Solubility :	10.9 mg/ml ; 0.039 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.46
Solubility :	0.97 mg/ml ; 0.00346 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.42

Signal Word:	Danger	Class:	6.1
Precautionary Statements:	P201-P202-P280-P308+P313-P405-P501	UN#:	2810
Hazard Statements:	H360	Packing Group:	Ⅲ
GHS Pictogram:

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