Basic information
- Standard SMILES
N#Cc1ccc(C2CCC(CCC=O)CC2)cc1- InChIKey
GLPRRPVEFLLWHE-UHFFFAOYSA-N- Molecular formula
- C16H19NO
- Average molar mass
- 241.33 g/mol
- Monoisotopic mass
- 241.14666423
Names & identifiers
- Preferred name
- 3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde
- IUPAC
- 4-[4-(3-oxopropyl)cyclohexyl]benzonitrile
Names & synonyms
3-[trans-4-(p-cyanophenyl)cyclohexyl]propionaldehydeSCHEMBL2277177SCHEMBL2277181GLPRRPVEFLLWHE-CTYIDZIISA-NDTXSID40121749296184-92-83-[trans-4-(4-cyanophenyl)cyclohexyl]-1-propanal3-[trans-4-(p-cyanophenyl)cyclohexyl] propionaldehyde4-[(1r,4r)-4-(3-Oxopropyl)cyclohexyl]benzonitrileBenzonitrile, 4-[4-(3-oxopropyl)cyclohexyl]-, trans-
Database identifiers
- CAS
96184-92-8- PubChem CID
- 18635685
- EC Number
- 619-198-0
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
4 records
Linked notes
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