chempirical

1,1′-Hexylidenebis[benzene]

C18H22CAS 1530-04-7238.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C18H22
Molar mass
238.37 g/mol
Exact mass
238.1722 Da
Density
0.9564 g/mL (at 20 °C)
Melting point
−11.76 °C
Boiling point
321.03 °C
logP
5.40Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
6

Identifiers

CAS number
1530-04-7
SMILES
CCCCCC(c1ccccc1)c1ccccc1
InChIKey
BXINIXQKBCSKKR-UHFFFAOYSA-N
InChI
InChI=1S/C18H22/c1-2-3-6-15-18(16-11-7-4-8-12-16)17-13-9-5-10-14-17/h4-5,7-14,18H,2-3,6,15H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass and density.

Names and synonyms

4 names
  • Benzene, 1,1′-hexylidenebis-
  • Hexane, 1,1-diphenyl-
  • 1,1-Diphenylhexane
  • 1-Phenylhexylbenzene

Work with 1,1′-Hexylidenebis[benzene]

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1-Diphenylpropane1530-03-652 % similar Decylbenzene104-72-350 % similar Hexylbenzene1077-16-350 % similar Heptylbenzene1078-71-350 % similar n-Nonylbenzene1081-77-250 % similar Dodecylbenzene123-01-350 % similar Tridecylbenzene123-02-450 % similar Hexadecylbenzene1459-09-250 % similar

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

Same formula

2,3-Dimethyl-2,3-diphenylbutane1889-67-4 4-Hexyl-1,1′-biphenyl59662-31-6 4-Methyl-4′-pentyl-1,1′-biphenyl64835-63-8

Elsewhere

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