α-Bergamotene

Compound Structure:

Synonyms:

alpha-Bergamotene; 17699-05-7 ;2,6-Dimethyl-6-(4-methyl-3-pentenyl)bicyclo[3.1.1]hept-2-ene; Bicyclo[3.1.1]hept-2-ene, 2,6-dimethyl-6-(4-methyl-3-pentenyl)- 2,6-dimethyl-6-(4-methylpent-3-en-1-yl)bicyclo[3.1.1]hept-2-ene

Compound ID:

NNMPC-1614

PubChem ID:

86608

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CCC2CC1C2(C)CCC=C(C)C

InChIKey:

YMBFCQPIMVLNIU-UHFFFAOYSA-

About the compound:

Alpha-bergamotene is a sesquiterpene consisting of a bicyclo[3.1.1]hept-2-ene skeleton substituted at positions 2 and 6 by methyl groups and at position 6 by a 4-methylpent-3-en-1-yl group. It has a role as a plant metabolite and a volatile oil component. It is a bridged compound, a sesquiterpene and a polycyclic olefin.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.8
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	0Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	304
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:

Greenwayodendron suaveolens
Ocimum basilicum
Morinda lucida
Pteris togoensis

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