chempirical

(Trans,trans)-4-(1E)-1-propen-1-yl-4′-propyl-1,1′-bicyclohexyl

C18H32CAS 279246-65-0248.45 g/mol

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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
4
Stereocentres
r, r, s, rin SMILES atom order
Double bonds
EE/Z, in SMILES order

Identifiers

CAS number
279246-65-0
SMILES
C/C=C/[C@H]1CC[C@H]([C@H]2CC[C@H](CCC)CC2)CC1
InChIKey
IASLDLGGHXYCEO-NWYLIVIONA-N
InChI
InChI=1/C18H32/c1-3-5-15-7-11-17(12-8-15)18-13-9-16(6-4-2)10-14-18/h3,5,15-18H,4,6-14H2,1-2H3/b5-3+/t15-,16-,17-,18-

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Names and synonyms

9 names
  • 1,1′-Bicyclohexyl, 4-(1E)-1-propen-1-yl-4′-propyl-, (trans,trans)-
  • 1,1′-Bicyclohexyl, 4-(1E)-1-propenyl-4′-propyl-, (trans,trans)-
  • CC 3V1
  • 3-HH-V1
  • 1V-HH-3
  • (Trans,trans)-4-(1E-Propenyl)-4′-propyl-1,1′-bicyclohexane
  • 3-Cy-cy-V1
  • 3CCV1
  • 3-Cy-cy-1d1

Work with (Trans,trans)-4-(1E)-1-propen-1-yl-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-ethenyl-4′-propyl-1,1′-bicyclohexyl116020-44-160 % similar (Trans,trans)-4-ethyl-4′-propyl-1,1′-bicyclohexyl96624-41-854 % similar (Trans,trans)-4-butyl-4′-propyl-1,1′-bicyclohexyl96624-52-154 % similar (Trans,trans)-4-pentyl-4′-propyl-1,1′-bicyclohexyl92263-41-752 % similar (Trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-ol82832-72-250 % similar (Trans,trans)-4-methoxy-4′-propyl-1,1′-bicyclohexyl97398-80-647 % similar (Trans,trans)-4-ethenyl-4′-pentyl-1,1′-bicyclohexyl129738-34-746 % similar trans-4′-Propyl[1,1′-bicyclohexyl]-4-one82832-73-345 % similar

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

Same formula

(Trans,trans)-4-butyl-4′-ethenyl-1,1′-bicyclohexyl153429-47-1

Elsewhere

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