chempirical

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

C17H32CAS 96624-41-8236.44 g/mol

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Properties

Molecular formula
C17H32
Molar mass
236.44 g/mol
Exact mass
236.2504 Da
logP
5.81Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
4
Stereocentres
r, s, r, rin SMILES atom order

Identifiers

CAS number
96624-41-8
SMILES
CCC[C@H]1CC[C@H]([C@H]2CC[C@H](CC)CC2)CC1
InChIKey
KORMYSCDCHFFMN-GARHLSDINA-N
InChI
InChI=1/C17H32/c1-3-5-15-8-12-17(13-9-15)16-10-6-14(4-2)7-11-16/h14-17H,3-13H2,1-2H3/t14-,15-,16-,17-

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Names and synonyms

9 names
  • 1,1′-Bicyclohexyl, 4-ethyl-4′-propyl-, (trans,trans)-
  • 2-HH-3
  • 3-HH-2
  • CCH 23
  • CC32
  • (Trans,trans)-4-Ethyl-4′-propyl-1,1′-bicyclohexane
  • 3-Cy-cy-2
  • CC-2-3
  • 3CC2

Work with (Trans,trans)-4-ethyl-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′-bicyclohexyl96624-52-165 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-763 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol82832-72-260 % similar (Trans,trans)-4-methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-656 % similar (Trans,trans)-4-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-154 % similar (Trans,trans)-4-(1E)-1-propen-1-yl-4′-propyl-1,1′-bicyclohexyl279246-65-054 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-354 % similar Propylcyclopentane2040-96-250 % similar

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

Same formula

1-Heptadecyne26186-00-5

Elsewhere

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