3-[trans-4-(p-Cyanophenyl)cyclohexyl]propionaldehyde

HCID 18635685CAS 96184-92-8

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

Related reactions

4 records

Linked notes

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