 Home > Encyclopedia > (5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

(5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

(5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol structure

CAS No:
167357-73-5
Formula:
C31H44O4
Chemical Name:
(5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Synonyms:
EB 1213; 4-Methylene-5-((octahydro-1-(2-(3-(1-hydroxy-1-methylethyl)phenoxy)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-1,3-cyclohexanediol;

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(5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol Basic Attributes

Molecular Weight：

480.67900

Exact Mass：

480.32395988

Characteristics

PSA：

69.92000

XLogP3：

6.06990

Density：

1.13g/cm3

Boiling Point：

642ºC

Flash Point：

342ºC

Refractive Index：

1.582

Vapor Pressure：

2.33E-17mmHg at 25°C

Drug Information

MeSH Entry Terms：

4-methylene-5-((octahydro-1-(2-(3-(1-hydroxy-1-methylethyl)phenoxy)-1-methylethyl)-7a-methyl-4H-inden-4-ylidene)ethylidene)-1,3-cyclohexanediol

Computed Properties

Molecular Weight:480.7
XLogP3:5.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:480.32395988
Monoisotopic Mass:480.32395988
Topological Polar Surface Area:69.9
Heavy Atom Count:35
Complexity:826
Undefined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (5E)-5-[(2E)-2-[1-[1-[3-(2-hydroxypropan-2-yl)phenoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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