Azuleno(5,6-c)furan-1(3H)-one, 4a,5,6,7,7a,8-hexahydro-6,6,8-trimethyl-, (4aR,7aR,8R)-rel-
Basic information
- CAS
68852-08-4- Standard SMILES
C[C@@H]1C=C2C(=O)OCC2=C[C@H]2CC(C)(C)C[C@@H]12- InChIKey
SKKVKZCMCUKCDI-NRUUGDAUSA-N- Molecular formula
- C15H20O2
- Average molar mass
- 232.32 g/mol
- Monoisotopic mass
- 232.14632988
Names & identifiers
- Preferred name
- Azuleno(5,6-c)furan-1(3H)-one, 4a,5,6,7,7a,8-hexahydro-6,6,8-trimethyl-, (4aR,7aR,8R)-rel-
- IUPAC
- (5S,5aS,8aS)-5,7,7-trimethyl-1,5,5a,6,8,8a-hexahydroazuleno[5,6-c]furan-3-one
Names & synonyms
Azuleno(5,6-c)furan-1(3H)-one, 4a,5,6,7,7a,8-hexahydro-6,6,8-trimethyl-, (4aR,7aR,8R)-rel-68852-08-4DTXSID20218948(4aS,7aS,8S)-6,6,8-Trimethyl-4a,5,6,7,7a,8-hexahydroazuleno[5,6-c]furan-1(3H)-one
Database identifiers
- CAS
68852-08-4- PubChem CID
- 155182
- DTXSID
DTXSID20218948- Nikkaji
- J661.865K
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 428
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Related reactions
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Compound notes
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