β-Elemenone

Compound Structure:

Synonyms:

4-Isopropenyl-5-methyl-2-(1-methylethylidene)-5-vinylcyclohexanone; 20303-60-0 ;5-ethenyl-5-methyl-2-propan-2-ylidene-4-prop-1-en-2-ylcyclohexan-1-one; c-.beta.-Elemenone cis-.beta.-Elemenone

Compound ID:

NMPC-1649

PubChem ID:

519762

Molecular Formula:

C15H22O

Canonical SMILES:

CC(=C1CC(C(CC1=O)(C)C=C)C(=C)C)C

InChIKey:

ABLPGPHZENVRRH-UHFFFAOYSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	218.33 g/mol
XLogP3-AA	4.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	218.167065321 g/mol
Monoisotopic Mass	218.167065321 g/mol
Topological Polar Surface Area	17.1Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	369
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source:PubChem

Source Species:

Strychnos innocua

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