trans-γ-Cadinene

Compound Structure:

Synonyms:

trans-.gamma.-cadinene

Compound ID:

NMPC-1562

PubChem ID:

Molecular Formula:

C15H24

Canonical SMILES:

CC1=CCC(C2C1CCC(=C)C2)C(C)C

InChIKey:

COEMCKKNQLRLNH-WLYUNCDWSA-N

About the compound:

Properties:

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.2
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	282
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
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:

Solanum nigrum
Acalypha segetalis
Murraya Koenigii

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