chempirical

1-[(Trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene

C23H34CAS 129738-42-7310.53 g/mol

Open in Covalent MOL file
Alkene

Properties

Molecular formula
C23H34
Molar mass
310.53 g/mol
Exact mass
310.2661 Da
logP
7.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
5
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
129738-42-7
SMILES
C=CCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccc(C)cc3)CC2)CC1
InChIKey
OXPUOKDPOMJNKA-GUJRETQENA-N
InChI
InChI=1/C23H34/c1-3-4-5-19-8-12-21(13-9-19)23-16-14-22(15-17-23)20-10-6-18(2)7-11-20/h3,6-7,10-11,19,21-23H,1,4-5,8-9,12-17H2,2H3/t19-,21-,22-,23-

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Names and synonyms

8 names
  • Benzene, 1-[(trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methyl-
  • Benzene, 1-[4′-(3-butenyl)[1,1′-bicyclohexyl]-4-yl]-4-methyl-, [trans(trans)]-
  • Benzene, 1-[(trans,trans)-4′-(3-butenyl)[1,1′-bicyclohexyl]-4-yl]-4-methyl-
  • CCP-V 2-1
  • V2-HHB-1
  • (Trans,trans)-4-3-Butenyl-4′-(4-methylphenyl)-1,1′-bicyclohexyl
  • V2CCP1
  • 0d3-Cy-cy-ph-1

Work with 1-[(Trans,trans)-4′-(3-buten-1-yl)[1,1′-bicyclohexyl]-4-yl]-4-methylbenzene

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-Methyl-4-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]benzene84656-75-763 % similar V-Hhb-1155041-85-362 % similar 4-(4-Methylphenyl)cyclohexanone40503-90-040 % similar 1-[(Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene133937-72-138 % similar 4-(trans-4-Propylcyclohexyl)phenol81936-33-636 % similar 1-Bromo-4-(trans-4-propylcyclohexyl)benzene86579-53-536 % similar 1-[(Trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)benzene135734-59-736 % similar Trans,trans-4-(3,4-difluorophenyl)-4''-ethyl-bicyclohexyl118164-50-435 % similar

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

Elsewhere

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