4,11-Selinadiene

4,11-Selinadiene
Compound Structure:
Synonyms: 4,11-selinadiene;(2S,4aS)-4a,8-dimethyl-2-prop-1-en-2-yl-2,3,4,5,6,7-hexahydro-1H-naphthalene;28290-20-2
Compound ID: NMPC-395
PubChem ID:

6429320
Molecular Formula: C15H24
Canonical SMILES: CC1=C2CC(CCC2(CCC1)C)C(=C)C
InChIKey: MOTCYZHGMCNNRH-ZFWWWQNUSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

204.35 g/mol

XLogP3-AA

4.9

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

308

Isotope Atom Count

0

Defined Atom Stereocenter Count

2

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: Pentaclethra macrophylla
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