(1-Ethoxycyclopropoxy)trimethylsilane

Introduction

CAS No. :	27374-25-0	MDL No. :	MFCD00074986
Formula :	C8H18O2Si	Boiling Point :	-
Linear Structure Formula :	C3H4(OCH2CH3)OSi(CH3)3	InChI Key :	BZMMRNKDONDVIB-UHFFFAOYSA-N
M.W :	174.31	Pubchem ID :	2734686
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
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 :	48.53
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) :	-5.81 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.96
Log Po/w (XLOGP3) :	2.19
Log Po/w (WLOGP) :	2.3
Log Po/w (MLOGP) :	1.31
Log Po/w (SILICOS-IT) :	0.6
Consensus Log Po/w :	1.87

Druglikeness

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

Water Solubility

Log S (ESOL) :	-2.04
Solubility :	1.6 mg/ml ; 0.0092 mol/l
Class :	Soluble
Log S (Ali) :	-2.21
Solubility :	1.07 mg/ml ; 0.00615 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-2.23
Solubility :	1.02 mg/ml ; 0.00583 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	3.79

Signal Word:	Danger	Class:	3
Precautionary Statements:	P210-P302+P352-P305+P351+P338	UN#:	1993
Hazard Statements:	H225-H315-H319-H335	Packing Group:	Ⅱ
GHS Pictogram:

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