chempirical

1,4-Dicyclohexylbenzene

C18H26CAS 1087-02-1242.41 g/mol

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Properties

Molecular formula
C18H26
Molar mass
242.41 g/mol
Exact mass
242.2035 Da
Melting point
100 °C
Boiling point
192–195 °C (at 13 Torr)
logP
5.78Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
2

Identifiers

CAS number
1087-02-1
SMILES
c1cc(C2CCCCC2)ccc1C1CCCCC1
InChIKey
QQFSIGWYINAJOB-UHFFFAOYSA-N
InChI
InChI=1S/C18H26/c1-3-7-15(8-4-1)17-11-13-18(14-12-17)16-9-5-2-6-10-16/h11-16H,1-10H2

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Names and synonyms

4 names
  • Benzene, 1,4-dicyclohexyl-
  • Benzene, p-dicyclohexyl-
  • p-Dicyclohexylbenzene
  • NSC 6353

Work with 1,4-Dicyclohexylbenzene

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

4-Cyclohexylphenol1131-60-871 % similar 1-Bromo-4-cyclohexylbenzene25109-28-871 % similar 4-Cyclohexylbenzenamine6373-50-871 % similar 1-(4-Cyclohexylphenyl)ethanone18594-05-356 % similar 4-Cyclohexylbenzoic acid20029-52-156 % similar 1-Bromo-4-cyclopropylbenzene1124-14-750 % similar 4-(1-Butylpentyl)pyridine2961-47-944 % similar 2-Cyclohexylphenol119-42-641 % similar

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

Elsewhere

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