Isobutyldimethoxy(methyl)silane

Introduction

CAS No. :	18293-82-8	MDL No. :	MFCD01320960
Formula :	C7H18O2Si	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	JUESRADRPFMUCL-UHFFFAOYSA-N
M.W :	162.30	Pubchem ID :	87559
Synonyms :

Physicochemical Properties

Num. heavy atoms :	10
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	45.8
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) :	-5.58 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.82
Log Po/w (XLOGP3) :	2.41
Log Po/w (WLOGP) :	2.01
Log Po/w (MLOGP) :	0.96
Log Po/w (SILICOS-IT) :	-0.05
Consensus Log Po/w :	1.63

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.1
Solubility :	1.29 mg/ml ; 0.00793 mol/l
Class :	Soluble
Log S (Ali) :	-2.44
Solubility :	0.59 mg/ml ; 0.00363 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-1.84
Solubility :	2.32 mg/ml ; 0.0143 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.94

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P280	UN#:	1993
Hazard Statements:	H225-H315	Packing Group:	Ⅲ
GHS Pictogram:

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