Cyclohexane,1-ethenyl; -1-methyl-2,4-bis(1-methylethenyl)-

Cyclohexane,1-ethenyl; -1-methyl-2,4-bis(1-methylethenyl)-
Compound Structure:
Synonyms: (-)-bete-elemene; (-)-cis-beta-Elemene; (+/-)-beta-Elemene; (1alpha,2beta,4beta)-1-Methyl-2,4-bis(methylvinyl)-1-vinylcyclohexane; (1R,2R,4S)-rel-Cyclohexane, 1-ethenyl-1-methyl-2,4-bis(1-methylethenyl)-; 1-Ethenyl-1-methyl-2,4-bis(1-methylethenyl)cyclohe
Compound ID: NMPC-923
PubChem ID:

10583
Molecular Formula: C15H24
Canonical SMILES: CC(=C)C1CCC(C(C1)C(=C)C)(C)C=C
InChIKey: OPFTUNCRGUEPRZ-UHFFFAOYSA-
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

6.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

0

Rotatable Bond Count

3

Exact Mass

204.187800766 g/mol

Monoisotopic Mass

204.187800766 g/mol

Topological Polar Surface Area

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

284

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

3

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Acanthus montanus
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