chempirical

(Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl

C19H36CAS 96624-52-1264.50 g/mol

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Properties

Molecular formula
C19H36
Molar mass
264.50 g/mol
Exact mass
264.2817 Da
logP
6.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6
Stereocentres
r, s, s, rin SMILES atom order

Identifiers

CAS number
96624-52-1
SMILES
CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1
InChIKey
QYGWJCMCLQAINT-VVPTUSLJNA-N
InChI
InChI=1/C19H36/c1-3-5-7-17-10-14-19(15-11-17)18-12-8-16(6-4-2)9-13-18/h16-19H,3-15H2,1-2H3/t16-,17-,18-,19-

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Names and synonyms

11 names
  • 1,1′-Bicyclohexyl, 4-butyl-4′-propyl-, (trans,trans)-
  • CCH 34
  • Trans,trans-4-(4-Propylcyclohexyl)-1-butylcyclohexane
  • trans-4-Butyl-trans-4′-propylbicyclohexane
  • 3-HH-4
  • CC 3-4
  • 4HH3
  • (Trans,trans)-4-Butyl-4′-propyl-1,1′-bicyclohexane
  • 4CC3
  • 3CC4
  • 3-CyCy-4

Work with (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl

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

(Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-786 % similar (Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-865 % similar Butylcyclopentane2040-95-165 % similar Propylcyclopentane2040-96-265 % similar Propylcyclohexane1678-92-862 % similar Butylcyclohexane1678-93-962 % similar (Trans,trans)-4-butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-161 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-361 % similar

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

Elsewhere

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