2-Benzoylcyclooctanone
Basic information
- CAS
50733-83-0- Standard SMILES
O=C1CCCCCCC1C(=O)c1ccccc1- InChIKey
MMZLQZZIECUPHR-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- 2-Benzoylcyclooctanone
- IUPAC
- 2-benzoylcyclooctan-1-one
Names & synonyms
2-BenzoylcyclooctanoneCyclooctanone, 2-benzoyl-50733-83-02-benzoylcyclooctan-1-oneDTXSID20964973
Database identifiers
- CAS
50733-83-0- PubChem CID
- 3016552
- DTXSID
DTXSID20964973- Nikkaji
- J338.349K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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