2,4,6,8-Tetramethyl-2,4,6,8-tetravinyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane

Introduction

CAS No. :	2554-06-5	MDL No. :	MFCD00040293
Formula :	C12H24O4Si4	Boiling Point :	No data available
Linear Structure Formula :	(CH3(CH2CH)SiO)4	InChI Key :	VMAWODUEPLAHOE-UHFFFAOYSA-N
M.W :	344.66	Pubchem ID :	75706
Synonyms :

Physicochemical Properties

Num. heavy atoms :	20
Num. arom. heavy atoms :	0
Fraction Csp3 :	0.33
Num. rotatable bonds :	4
Num. H-bond acceptors :	4.0
Num. H-bond donors :	0.0
Molar Refractivity :	91.6
TPSA :	36.92 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) :	-4.28 cm/s

Lipophilicity

Log Po/w (iLOGP) :	4.17
Log Po/w (XLOGP3) :	5.8
Log Po/w (WLOGP) :	3.26
Log Po/w (MLOGP) :	-0.08
Log Po/w (SILICOS-IT) :	-1.7
Consensus Log Po/w :	2.29

Druglikeness

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

Water Solubility

Log S (ESOL) :	-5.37
Solubility :	0.00148 mg/ml ; 0.0000043 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.35
Solubility :	0.000156 mg/ml ; 0.000000452 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-2.55
Solubility :	0.974 mg/ml ; 0.00282 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	5.67

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

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