b-Bisabolene

Compound Structure:

Synonyms:

1-Methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohex-1-ene;1-methyl-4-(6-methylhepta-1,5-dien-2-yl)cyclohexene;4891-79-6;CHEBI:49249;21902-26-1;b-bisabolene;beta-Bisabolen;b-Limene;Bisabolene PEH-III G3;(E)- .beta.-Bisabolene

Compound ID:

NMPC-614

PubChem ID:

403919

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CCC(CC1)C(=C)CCC=C(C)C

InChIKey:

XZRVRYFILCSYSP-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	5.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	4
Exact Mass	204.187800766 g/mol
Monoisotopic Mass	204.187800766 g/mol
Topological Polar Surface Area	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	274
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Source: PubChem

Source Species:

Brachystegia eurycoma

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