2,2,8,8-Tetramethyl-3,7-dioxa-2,8-disilanonane

Introduction

CAS No. :	17887-80-8	MDL No. :	MFCD00161340
Formula :	C9H24O2Si2	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	DWHYMKOUICVFHL-UHFFFAOYSA-N
M.W :	220.46	Pubchem ID :	140303
Synonyms :

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	63.28
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) :	-5.42 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.68
Log Po/w (XLOGP3) :	3.13
Log Po/w (WLOGP) :	3.08
Log Po/w (MLOGP) :	1.61
Log Po/w (SILICOS-IT) :	-0.43
Consensus Log Po/w :	2.21

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.78
Solubility :	0.364 mg/ml ; 0.00165 mol/l
Class :	Soluble
Log S (Ali) :	-3.19
Solubility :	0.143 mg/ml ; 0.00065 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.11
Solubility :	0.17 mg/ml ; 0.000769 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.4

Signal Word:	Warning	Class:
Precautionary Statements:	P210-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501	UN#:
Hazard Statements:	H227-H315-H319	Packing Group:
GHS Pictogram:

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