Basic information
- CAS
53586-85-9- Standard SMILES
N#CC1CCCC(c2ccccc2)(C2CCCCC2)C1=O- InChIKey
FFGUANRCTFBQIS-UHFFFAOYSA-N- Molecular formula
- C19H23NO
- Average molar mass
- 281.4 g/mol
- Monoisotopic mass
- 281.17796436
Names & identifiers
- Preferred name
- 3-Cyclohexyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
- IUPAC
- 3-cyclohexyl-2-oxo-3-phenylcyclohexane-1-carbonitrile
Names & synonyms
53586-85-9NSC287551DTXSID70314722NSC-2875512~2~-Oxo-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~3~,2~4~,2~5~,2~6~-decahydro-2~2~H-[1~1~,2~1~:2~1~,3~1~-terphenyl]-2~3~-carbonitrile
Database identifiers
- CAS
53586-85-9- PubChem CID
- 324043
- DTXSID
DTXSID70314722
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 422
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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