Basic information
- CAS
1034688-99-7- Standard SMILES
CCc1cc(C#N)ccc1C1=CCCCC1- InChIKey
HQSCAILVLDFMPX-UHFFFAOYSA-N- Molecular formula
- C15H17N
- Average molar mass
- 211.3 g/mol
- Monoisotopic mass
- 211.13609955
Names & identifiers
- Preferred name
- 4-(1-Cyclohexen-1-yl)-3-ethylbenzonitrile
- IUPAC
- 4-(cyclohexen-1-yl)-3-ethylbenzonitrile
Names & synonyms
4-(1-Cyclohexen-1-yl)-3-ethylbenzonitrile1034688-99-7SCHEMBL404220HQSCAILVLDFMPX-UHFFFAOYSA-NDTXSID601270498DB-1523002-Ethyl-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-carbonitrile
Database identifiers
- CAS
1034688-99-7- PubChem CID
- 59316716
- DTXSID
DTXSID601270498
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 307
Related reactions
5 records
Compound notes
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