chempirical

4-(trans-4-Pentylcyclohexyl)benzonitrile

C18H25NCAS 61204-01-1255.40 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C18H25N
Molar mass
255.40 g/mol
Exact mass
255.1987 Da
Melting point
29.7 °C
logP
5.41Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
5
Stereocentres
r, sin SMILES atom order

Identifiers

CAS number
61204-01-1
SMILES
CCCCC[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1
InChIKey
FURZYCFZFBYJBT-JCNLHEQBNA-N
InChI
InChI=1/C18H25N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h8-9,12-13,15,17H,2-7,10-11H2,1H3/t15-,17-

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Type any one amount. The others follow from the molar mass.

Names and synonyms

24 names · show all
  • Benzonitrile, 4-(trans-4-pentylcyclohexyl)-
  • Benzonitrile, 4-(4-pentylcyclohexyl)-, trans-
  • Licristal S 1114
  • trans-4-Pentyl(4-cyanophenyl)cyclohexane
  • trans-4-Pentyl-1-(4-cyanophenyl)cyclohexane
  • S 1114
  • trans-4-Pentyl(4′-cyanophenyl)cyclohexane
  • 4-(trans-4′-n-Pentylcyclohexyl)-1-cyanobenzene
  • p-trans-4-Pentylcyclohexylbenzonitrile
  • trans-4-Amyl-1-(4-cyanophenyl)cyclohexane
  • 4-Cyano-1-[trans-4-pentylcyclohexyl]benzene
  • trans-4-Pentyl-1-(p-cyanophenyl)cyclohexane
  • PCH 5
  • 5PCH
  • ZhKM 1098
  • 1-p-Cyanophenyl-4-pentylcyclohexane
  • 4-(4-Pentylcyclohexyl)benzonitrile
  • p-Pentyl-p′-cyanophenylcyclohexane
  • 4-Pentyl-4′-cyanophenylcyclohexane
  • ZLI 1114
  • Merck ZLI 1114
  • trans-4-(4-Pentylcyclohexyl)benzonitrile
  • 5-HB-C
  • CP-5-N

Work with 4-(trans-4-Pentylcyclohexyl)benzonitrile

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4′-(trans-4-Pentylcyclohexyl)[1,1′-biphenyl]-4-carbonitrile68065-81-692 % similar 4-(trans-4-Butylcyclohexyl)benzonitrile61204-00-091 % similar 4-(trans-4-Propylcyclohexyl)benzonitrile61203-99-480 % similar 4-(trans-4-Ethylcyclohexyl)benzonitrile72928-54-268 % similar 4-(trans-4-Pentylcyclohexyl)-1-fluorobenzene76802-61-462 % similar 1-Bromo-4-(trans-4-pentylcyclohexyl)benzene79832-89-662 % similar 4-(trans-4-Pentylcyclohexyl)phenol82575-69-762 % similar 4-Ethyl-4′-(trans-4-pentylcyclohexyl)-1,1′-biphenyl79709-85-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Diethyl-1,2-dihydro-1-phenyl-2-propylpyridine34562-31-7

Elsewhere

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