chempirical

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

C17H30CAS 116020-44-1234.43 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C17H30
Molar mass
234.43 g/mol
Exact mass
234.2348 Da
logP
5.59Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Stereocentres
r, r, s, rin SMILES atom order

Identifiers

CAS number
116020-44-1
SMILES
C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1
InChIKey
KHDBEDDPFRHGCN-GARHLSDINA-N
InChI
InChI=1/C17H30/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h4,14-17H,2-3,5-13H2,1H3/t14-,15-,16-,17-

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Names and synonyms

8 names
  • 1,1′-Bicyclohexyl, 4-ethenyl-4′-propyl-, (trans,trans)-
  • CC 3V
  • 3-HH-V
  • V-HH-3
  • (Trans,trans)-4-Propyl-4′-ethenyl-1,1′-bicyclohexane
  • 3-Cy-cy-1d0
  • 3-Cy-cy-V
  • 3CCV

Work with (Trans,trans)-4-ethenyl-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-butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-179 % similar (Trans,trans)-4-ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-776 % similar (Trans,trans)-4-(1E)-1-propen-1-yl-4′-propyl-1,1′-bicyclohexyl279246-65-060 % similar (Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-854 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-154 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-752 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol82832-72-250 % similar (Trans,trans)-4-methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-647 % similar

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

Elsewhere

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