chempirical

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

C18H32CAS 153429-47-1248.45 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C18H32
Molar mass
248.45 g/mol
Exact mass
248.2504 Da
logP
5.98Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
r, r, s, rin SMILES atom order

Identifiers

CAS number
153429-47-1
SMILES
C=C[C@H]1CC[C@H]([C@H]2CC[C@H](CCCC)CC2)CC1
InChIKey
HNJLLLQZSIESBM-OPMHRUBENA-N
InChI
InChI=1/C18H32/c1-3-5-6-16-9-13-18(14-10-16)17-11-7-15(4-2)8-12-17/h4,15-18H,2-3,5-14H2,1H3/t15-,16-,17-,18-

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

Names and synonyms

5 names
  • 1,1′-Bicyclohexyl, 4-butyl-4′-ethenyl-, (trans,trans)-
  • V-HH-4
  • CC-4-V
  • 4-HH-V
  • (Trans,trans)-4-Butyl-4′-ethenyl-1,1′-bicyclohexane

Work with (Trans,trans)-4-butyl-4′-ethenyl-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-ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-789 % similar (Trans,trans)-4-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-179 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-161 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-753 % similar trans-4′-Butyl[1,1′-bicyclohexyl]-4-one92413-47-349 % similar Butylcyclopentane2040-95-148 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-ol82575-70-047 % similar Butylcyclohexane1678-93-946 % similar

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

Same formula

(Trans,trans)-4-(1E)-1-propen-1-yl-4′-propyl-1,1′-bicyclohexyl279246-65-0

Elsewhere

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