cadina-3,5-diene

Compound Structure:

Synonyms:

Cadina-3,5-diene;(1S,4S,4aS)-1-Isopropyl-4,7-dimethyl-1,2,3,4,4a,5-hexahydronaphthalene; Naphthalene, 1,2,3,4,4a,5-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4S,4aS)-

Compound ID:

NMPC-709

PubChem ID:

91723677

Molecular Formula:

C15H24

Canonical SMILES:

CC1CCC(C2=CC(=CCC12)C)C(C)C

InChIKey:

JOCWPECWTZZSSX-IHRRRGAJSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	204.35 g/mol
XLogP3-AA	4.5
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

Source: PubChem

Source Species:

Eucalyptus tereticornis

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