chempirical

O-Cymene

C10H14CAS 527-84-4134.22 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C10H14
Molar mass
134.22 g/mol
Exact mass
134.1096 Da
Density
0.8766 g/mL (at 20 °C)
Melting point
−71.5 °C
Boiling point
178.1 °C
logP
3.12Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

Identifiers

CAS number
527-84-4
SMILES
Cc1ccccc1C(C)C
InChIKey
WWRCMNKATXZARA-UHFFFAOYSA-N
InChI
InChI=1S/C10H14/c1-8(2)10-7-5-4-6-9(10)3/h4-8H,1-3H3

Weigh it out

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

Names and synonyms

12 names
  • Benzene, 1-methyl-2-(1-methylethyl)-
  • 1-Methyl-2-(1-methylethyl)benzene
  • o-Cymol
  • o-Isopropyltoluene
  • 1-Methyl-2-isopropylbenzene
  • 1-Isopropyl-2-methylbenzene
  • 2-Isopropyltoluene
  • NSC 73976
  • 1-Methyl-2-cumene
  • α-Cymene
  • 1-Methyl-2-propan-2-ylbenzene
  • 1-Methyl-2-(propan-2-yl)benzene

Work with O-Cymene

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

2-Isopropyl-6-methylaniline5266-85-359 % similar 1-Iodo-2-isopropylbenzene19099-54-856 % similar 1-Bromo-2-(1-methylethyl)benzene7073-94-152 % similar 2-Isopropylaniline643-28-750 % similar 2-Isopropylphenol88-69-750 % similar O-Xylene95-47-650 % similar 3-Methyl-4-isopropylphenol3228-02-248 % similar 1-(Chlorophenylmethyl)-2-methylbenzene41870-52-448 % similar

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

Same formula

n-Butylbenzene104-51-8 1,4-Diethylbenzene105-05-5 1,2-Diethylbenzene135-01-3 sec-Butylbenzene135-98-8 1,3-Diethylbenzene141-93-5 1,9-Decadiyne1720-38-3 Prehnitene488-23-3 Isodurene527-53-7

Elsewhere

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