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

C₂₀H₃₈CAS 92263-41-7278.52 g/mol

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Properties

Molecular formula: C₂₀H₃₈
Molar mass: 278.52 g/mol
Exact mass: 278.2974 Da
logP: 6.98Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 7
Stereocentres: r, s, s, rin SMILES atom order

Identifiers

CAS number

92263-41-7

SMILES

CCCCC[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1

InChIKey

KDVKBFMGDZIYON-UBBSCCEANA-N

InChI

InChI=1/C20H38/c1-3-5-6-8-18-11-15-20(16-12-18)19-13-9-17(7-4-2)10-14-19/h17-20H,3-16H2,1-2H3/t17-,18-,19-,20-

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Names and synonyms

8 names

1,1′-Bicyclohexyl, 4-pentyl-4′-propyl-, (trans,trans)-
CCH 35
3-HH-5
CC 3-5
CC35
(Trans,trans)-4-Pentyl-4′-propyl-1,1′-bicyclohexane
5CC3
3CC5

Work with (Trans,trans)-4-pentyl-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′-propyl-1,1′-bicyclohexyl96624-52-186 % similar Propylcyclopentane2040-96-270 % similar (Trans,trans)-4′-pentyl[1,1′-bicyclohexyl]-4-ol82575-70-069 % similar Propylcyclohexane1678-92-867 % similar Pentylcyclohexane4292-92-667 % similar Heptylcyclohexane5617-41-467 % similar (Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-863 % similar (Trans,trans)-4-ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-762 % similar

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

Elsewhere

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