chempirical

V-Hhb-1

C21H30CAS 155041-85-3282.47 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C21H30
Molar mass
282.47 g/mol
Exact mass
282.2348 Da
logP
6.26Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
3
Stereocentres
r, r, r, rin SMILES atom order

Identifiers

CAS number
155041-85-3
SMILES
C=C[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1
InChIKey
BCUMFFLWJNKNOU-YSXIEMCBNA-N
InChI
InChI=1/C21H30/c1-3-17-6-10-19(11-7-17)21-14-12-20(13-15-21)18-8-4-16(2)5-9-18/h3-5,8-9,17,19-21H,1,6-7,10-15H2,2H3/t17-,19-,20-,21-

Weigh it out

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

Names and synonyms

11 names
  • Benzene, 1-[(trans,trans)-4′-ethenyl[1,1′-bicyclohexyl]-4-yl]-4-methyl-
  • Benzene, 1-(4′-ethenyl[1,1′-bicyclohexyl]-4-yl)-4-methyl-, [trans(trans)]-
  • 1-[(Trans,trans)-4′-Ethenyl[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene
  • trans-4-(4-Methylphenyl)-trans-4′-vinylbicyclohexane
  • CCP-V 1
  • V-Cy-cy-ph-1
  • 4-Methylphenyl bicyclohexyl ethylene
  • (Trans,trans)-4-Ethenyl-4′-(4-methylphenyl)-1,1′-bicyclohexane
  • (Trans,trans)-4-Ethenyl-4′-(4-methylphenyl)-1,1′-bicyclohexyl
  • VCCP1
  • 0d1-Cy-cy-ph-1

Work with V-Hhb-1

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

1-[(Trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene129738-42-762 % similar 1-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-755 % similar 4-(trans-4-Ethenylcyclohexyl)benzonitrile96184-42-854 % similar 4-(4-Methylphenyl)cyclohexanone40503-90-044 % similar (Trans,trans)-4-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-142 % similar (Trans,trans)-4-butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-140 % similar (Trans,trans)-4-ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-739 % similar 4-[trans-4-(1E)-1-Propen-1-ylcyclohexyl]benzonitrile96184-40-636 % similar

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

Elsewhere

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