tert-Butyl(2-iodoethoxy)dimethylsilane

Introduction

CAS No. :	101166-65-8	MDL No. :	MFCD09909940
Formula :	C8H19IOSi	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	CAAUZMMMFDVBFD-UHFFFAOYSA-N
M.W :	286.23	Pubchem ID :	11129873
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	0
Fraction Csp3 :	1.0
Num. rotatable bonds :	4
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	62.49
TPSA :	9.23 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) :	-5.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	3.96
Log Po/w (WLOGP) :	3.44
Log Po/w (MLOGP) :	2.84
Log Po/w (SILICOS-IT) :	1.51
Consensus Log Po/w :	2.97

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.85
Solubility :	0.0409 mg/ml ; 0.000143 mol/l
Class :	Soluble
Log S (Ali) :	-3.85
Solubility :	0.04 mg/ml ; 0.00014 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.46
Solubility :	0.0983 mg/ml ; 0.000344 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	3.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	4.2

Signal Word:	Warning	Class:
Precautionary Statements:	P305+P351+P338	UN#:
Hazard Statements:	H302-H319	Packing Group:
GHS Pictogram:

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