1,2-Bis(trimethylsiloxy)ethane

Introduction

CAS No. :	7381-30-8	MDL No. :	MFCD00009640
Formula :	C8H22O2Si2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	JGWFUSVYECJQDT-UHFFFAOYSA-N
M.W :	206.43	Pubchem ID :	81858
Synonyms :

Physicochemical Properties

Num. heavy atoms :	12
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	5
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	58.48
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) :	-5.59 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.64
Log Po/w (XLOGP3) :	2.78
Log Po/w (WLOGP) :	2.69
Log Po/w (MLOGP) :	1.29
Log Po/w (SILICOS-IT) :	-0.85
Consensus Log Po/w :	1.91

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.54
Solubility :	0.594 mg/ml ; 0.00288 mol/l
Class :	Soluble
Log S (Ali) :	-2.82
Solubility :	0.31 mg/ml ; 0.0015 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.71
Solubility :	0.404 mg/ml ; 0.00196 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.45

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P403+P235	UN#:	1993
Hazard Statements:	H225	Packing Group:	Ⅲ
GHS Pictogram:

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