α-Cadinene

Compound Structure:

Synonyms:

(+)-alpha-cadinene; alpha-Cadinene; (-)-alpha-Cadinene; alpha-Cadinene, (+)- ;24406-05-1

Compound ID:

NMPC-1619

PubChem ID:

12306048

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CC2C(CC1)C(=CCC2C(C)C)C

InChIKey:

QMAYBMKBYCGXDH-KKUMJFAQSA-N

About the compound:

Alpha-cadinene is a cadinenesesquiterpene that consists of 1-(propan-2-yl)-1,2,4a,5,6,8a-hexahydronaphthalene having two methyl substituents at positions 1 and 4 (the 1S,4aS,8aS-configuration). It has a role as a volatile oil component. It is a cadinene and a member of hexahydronaphthalenes.

Properties:

Chemical and Physical Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	1
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	293
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes
Boiling Point	271.00 to 272.00 °C. @ 760.00 mm Hg

Source:PubChem

Source Species:

Solanum nigrum
Tetrapleura tetraptera
Araucaria cunninghamii
Brachystegia eurycoma
Hyparrhenia rufa

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