Carota-4(5), 11(12)-diene

Carota-4(5), 11(12)-diene
Compound Structure:
Synonyms: Isodaucene;(+)-Dauca-8,11-diene; -N;Carota-4(5),11(12)-diene;Q67879952;(3S,3aS,8aR)-6,8a-Dimethyl-3-(prop-1-en-2-yl)-1,2,3,3a,4,5,8,8a-octahydroazulene;Azulene, 1,2,3,3a,4,7,8,8a-octahydro-3a,6-dimethyl-1-(1-methylethenyl)-, (1S,3aR,8aS)-
Compound ID: NMPC-723
PubChem ID:

73809332
Molecular Formula: C15H24
Canonical SMILES: CC1=CCC2(CCC(C2CC1)C(=C)C)C
InChIKey: RLNLRKHTQIXWHM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

5.1

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

0Ų

Heavy Atom Count

15

Formal Charge

0

Complexity

297

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: Culcasia scandens
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