Substance Profile

4-Pentyl-bicyclo[2.2.2]octane-1-carboxylic acid 4'-cyano-biphenyl-4-yl ester

  • Molecular Formula: C27H31NO2
  • Element System: C-H-N-O
  • CAS-RN:
  • InChI: InChI=1S/C27H31NO2/c1-2-3-4-13-26-14-17-27(18-15-26,19-16-26)25(29)30-24-11-9-23(10-12-24)22-7-5-21(20-28)6-8-22/h5-12H,2-4,13-19H2,1H3
  • InChI Key: OQCCXULSCSKBBR-UHFFFAOYSA-N

Chemical Properties + Synthesis

  • Molecular Weight: 401.5477
  • Calculated Log P: 7.523
  • Rotatable Bonds: 10
  • H Acceptors: 2
  • H Donators: 0
  • Reactions having this substance as a reactant:
  • Reactions having this substance as a product: 1
  • Journal articles containing this substance: 1
  • Patents containing this substance:
  • Other publications containing this substance:
  • Suppliers:

Data from SPRESIweb

3D Interactive Structure