Basic information
- CAS
70329-89-4- Standard SMILES
CC(C)[C@H]1C[C@]2(C)C[C@@]3(C)C[C@@H]1[C@@H]2CC3=O- InChIKey
FHGVQISYQRBFTF-CYHVGBIXSA-N- Molecular formula
- C15H24O
- Average molar mass
- 220.35 g/mol
- Monoisotopic mass
- 220.18271539
Names & identifiers
- Preferred name
- racemic-9-Pupukeanone
- IUPAC
- (1R,3R,5R,6S,7S)-1,3-dimethyl-5-propan-2-yltricyclo[4.3.1.03,7]decan-9-one
Names & synonyms
70329-89-4racemic-9-PupukeanoneDTXSID409905371,5-Dimethyl-3-(propan-2-yl)octahydro-6H-1,5-methanoinden-6-one(1R,3R,3aS,5R,7aS)-1,5-Dimethyl-3-(propan-2-yl)octahydro-6H-1,5-methanoinden-6-one1,5-Methano-1H-inden-6(2H)-one, hexahydro-1,5-dimethyl-3-(1-methylethyl)-, (1alpha,3alpha,3abeta,5alpha,7abeta)-
Database identifiers
- CAS
70329-89-4- PubChem CID
- 190022
- DTXSID
DTXSID40990537
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 345
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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