Cyclohexyltrimethoxysilane

Introduction

CAS No. :	17865-54-2	MDL No. :	MFCD01074466
Formula :	C9H20O3Si	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	MEWFSXFFGFDHGV-UHFFFAOYSA-N
M.W :	204.34	Pubchem ID :	10998130
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	3.0
Num. H-bond donors :	0.0
Molar Refractivity :	54.39
TPSA :	27.69 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) :	-5.65 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.08
Log Po/w (XLOGP3) :	2.67
Log Po/w (WLOGP) :	2.2
Log Po/w (MLOGP) :	0.34
Log Po/w (SILICOS-IT) :	0.21
Consensus Log Po/w :	1.7

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.53
Solubility :	0.61 mg/ml ; 0.00299 mol/l
Class :	Soluble
Log S (Ali) :	-2.9
Solubility :	0.255 mg/ml ; 0.00125 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.81
Solubility :	3.16 mg/ml ; 0.0155 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.99

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P305+P351+P338	UN#:
Hazard Statements:	H315-H319-H335	Packing Group:
GHS Pictogram:

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