chempirical

(Trans,trans)-4-ethenyl-4′-pentyl-1,1′-bicyclohexyl

C19H34CAS 129738-34-7262.48 g/mol

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Alkene

Properties

Molecular formula
C19H34
Molar mass
262.48 g/mol
Exact mass
262.2661 Da
logP
6.37Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6
Stereocentres
r, r, s, rin SMILES atom order

Identifiers

CAS number
129738-34-7
SMILES
C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1
InChIKey
ALEUVXQGVOQDBD-VVPTUSLJNA-N
InChI
InChI=1/C19H34/c1-3-5-6-7-17-10-14-19(15-11-17)18-12-8-16(4-2)9-13-18/h4,16-19H,2-3,5-15H2,1H3/t16-,17-,18-,19-

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Names and synonyms

7 names
  • 1,1′-Bicyclohexyl, 4-ethenyl-4′-pentyl-, (trans,trans)-
  • 4-Ethenyl-4′-pentylbicyclohexane
  • CC 5V
  • trans-4-Pentyl-trans-4′-vinylbicyclohexane
  • 5-HH-V
  • V-HH-5
  • (Trans,trans)-4-Ethenyl-4′-pentyl-1,1′-bicyclohexane

Work with (Trans,trans)-4-ethenyl-4′-pentyl-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-butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-189 % similar (Trans,trans)-4-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-176 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-762 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-ol82575-70-055 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-153 % similar Pentylcyclohexane4292-92-650 % similar Heptylcyclohexane5617-41-450 % similar trans-4′-Pentyl[1,1′-bicyclohexyl]-4-one84868-02-050 % similar

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

Elsewhere

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