(3aS,3bR,6aR,7aR)-3,3,7a-Trimethyl-4-methylenedecahydro-7H-cyclopenta[a]pentalen-7-one

HCID 14262012

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Basic information

Standard SMILES: C=C1CC[C@H]2C(=O)[C@]3(C)CCC(C)(C)[C@@H]3[C@@H]12
InChIKey: AGQNZJFDBYCSEQ-OXJKWZBOSA-N
Molecular formula: C15H22O
Average molar mass: 218.33 g/mol
Monoisotopic mass: 218.16706532

Names & identifiers

Preferred name: (3aS,3bR,6aR,7aR)-3,3,7a-Trimethyl-4-methylenedecahydro-7H-cyclopenta[a]pentalen-7-one
IUPAC: (3aR,3bS,6aR,7aR)-4,4,6a-trimethyl-3-methylidene-2,3a,3b,5,6,7a-hexahydro-1H-cyclopenta[a]pentalen-7-one

Names & synonyms

DTXSID501359287Q63391613(3aS,3bR,6aR,7aR)-3,3,7a-Trimethyl-4-methylenedecahydro-7H-cyclopenta[a]pentalen-7-one1,9,9-TRIMETHYL-6-METHYLENE-CIS-ANTI-CIS-TRICYCLO(6.3.0.0(3,7))UNDECAN-2-ONE

Database identifiers

PubChem CID: 14262012
DTXSID: DTXSID501359287
Nikkaji: J461.950A

Properties

Computed structural properties

XLogP: 3.1
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 16
Formal charge: 0
Complexity: 379

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