5-(7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)-3-methylpent-2-en-1-ol

5-(7a-Isopropenyl-4,5-dimethyloctahydroinden-4-yl)-3-methylpent-2-en-1-ol
Compound Structure:
Synonyms: 5-(7a-Isopropenyl-4,5-dimethyl-octahydroinden-4-yl)-3-methyl-pent-2-enal;(2E)-5-(7a-Isopropenyl-4,5-dimethyloctahydro-1H-inden-4-yl)-3-methyl-2-pentenal
Compound ID: NMPC-434
PubChem ID:

5375221
Molecular Formula: C20H32O
Canonical SMILES: CC1CCC2(CCCC2C1(C)CCC(=CC=O)C)C(=C)C
InChIKey: GFLBSRJWOGQNNC-MHWRWJLKSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

288.5 g/mol

XLogP3-AA

7.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

1

Rotatable Bond Count

5

Exact Mass

288.245315640 g/mol

Monoisotopic Mass

288.245315640 g/mol

Topological Polar Surface Area

17.1Ų

Heavy Atom Count

21

Formal Charge

0

Complexity

447

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

4

Defined Bond Stereocenter Count

1

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Thaumatococcus daniellii
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