chempirical

Hexamethylbenzene

C12H18CAS 87-85-4162.28 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C12H18
Molar mass
162.28 g/mol
Exact mass
162.1409 Da
Density
1.04 g/mL
Melting point
166.5 °C
Boiling point
263.4 °C
logP
3.54Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
87-85-4
SMILES
Cc1c(C)c(C)c(C)c(C)c1C
InChIKey
YUWFEBAXEOLKSG-UHFFFAOYSA-N
InChI
InChI=1S/C12H18/c1-7-8(2)10(4)12(6)11(5)9(7)3/h1-6H3

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Names and synonyms

5 names
  • Benzene, 1,2,3,4,5,6-hexamethyl-
  • Benzene, hexamethyl-
  • 1,2,3,4,5,6-Hexamethylbenzene
  • Mellitene
  • NSC 3838

Reactions

Work with Hexamethylbenzene

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-Iodo-2,3,4,5,6-pentamethylbenzene3853-91-650 % similar 1-Bromo-2,3,4,5,6-pentamethylbenzene5153-40-250 % similar Pentamethylbenzene700-12-946 % similar 1,4-Dibromo-2,3,5,6-tetramethylbenzene1646-54-442 % similar 2,3,5,6-Tetrabromo-P-xylene23488-38-242 % similar 2,3,5,6-Tetramethyl-1,4-phenylenediamine3102-87-242 % similar 1,3,5-Tribromo-2,4,6-trimethylbenzene608-72-042 % similar Pentamethylbenzyl chloride484-65-140 % similar

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

Same formula

1,4-Diisopropylbenzene100-18-5 1,3,5-Triethylbenzene102-25-0 Hexylbenzene1077-16-3 1,2,4-Trivinylcyclohexane2855-27-8 1,5,9-Cyclododecatriene4904-61-4 Trans,trans,trans-1,5,9-cyclododecatriene676-22-2 Cyclododecatriene706-31-0 4-(1,1-Dimethylethyl)-1,2-dimethylbenzene7397-06-0

Elsewhere

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