2-Oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile
Basic information
- CAS
53586-81-5- Standard SMILES
CCCC1(c2ccccc2)CCCC(C#N)C1=O- InChIKey
MESINIZSGIFEJZ-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- 2-Oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile
- IUPAC
- 2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile
Names & synonyms
2-oxo-3-phenyl-3-propylcyclohexane-1-carbonitrile53586-81-5DTXSID40314719RefChem:264900DTXCID30265842NSC287548NSC-287548
Database identifiers
- CAS
53586-81-5- PubChem CID
- 324040
- DTXSID
DTXSID40314719
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 347
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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