Basic information
- CAS
712-27-6- Standard SMILES
O=C1CCCC2C1C1CCCC(=O)C21- InChIKey
QHKOQSOYGJPDHV-UHFFFAOYSA-N- Molecular formula
- C12H16O2
- Average molar mass
- 192.25 g/mol
- Monoisotopic mass
- 192.11502975
Names & identifiers
- Preferred name
- 2,3,4,4a,4b,6,7,8,8a,8b-Decahydrobiphenylene-1,5-dione
- IUPAC
- 2,3,4,4a,4b,6,7,8,8a,8b-decahydrobiphenylene-1,5-dione
Names & synonyms
NSC124107712-27-6DTXSID001185992NSC-124107cis-anti-cis-tricyclo[6.4.0.0^2.7^]dodecane-3,9-dione(4aR,4bR,8aS,8bS)-Octahydrobiphenylene-1,5(2H,4bH)-dionerel-(4aR,4bR,8aS,8bS)-Octahydro-1,5(2H,4bH)-biphenylenedione
Database identifiers
- CAS
712-27-6- PubChem CID
- 276367
- DTXSID
DTXSID001185992- Nikkaji
- J393.259A、J934.078E、J934.079C
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 261
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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