chempirical

2,6-Dimethyl-1,4-benzoquinone

C8H8O2CAS 527-61-7136.15 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C8H8O2
Molar mass
136.15 g/mol
Exact mass
136.0524 Da
Melting point
72.5 °C
Boiling point
20–40 °C (at 0.04 Torr)
logP
1.03Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
527-61-7
SMILES
CC1=CC(=O)C=C(C)C1=O
InChIKey
SENUUPBBLQWHMF-UHFFFAOYSA-N
InChI
InChI=1S/C8H8O2/c1-5-3-7(9)4-6(2)8(5)10/h3-4H,1-2H3

Weigh it out

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

Names and synonyms

11 names
  • 2,5-Cyclohexadiene-1,4-dione, 2,6-dimethyl-
  • p-Benzoquinone, 2,6-dimethyl-
  • 2,6-Dimethyl-2,5-cyclohexadiene-1,4-dione
  • m-Xyloquinone
  • 2,6-Dimethyl-p-benzoquinone
  • 2,6-Dimethylbenzoquinone
  • 2,6-Xyloquinone
  • 3,5-Dimethylbenzoquinone
  • 3,5-Dimethyl-1,4-benzoquinone
  • NSC 17549
  • 3,5-Dimethyl-p-benzoquinone

Work with 2,6-Dimethyl-1,4-benzoquinone

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

Methyl-1,4-benzoquinone553-97-948 % similar Phorone504-20-148 % similar 2,6-Diisopropyl-1,4-benzoquinone1988-11-042 % similar 2,6-Dimethoxybenzoquinone530-55-242 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-242 % similar 2,6-Dichloro-1,4-benzoquinone697-91-642 % similar 2,3-Dimethoxy-5-methyl-1,4-benzoquinone605-94-740 % similar 2-Chloro-5-methyl-1,4-benzoquinone19832-87-231 % similar

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

Same formula

Phenylacetic acid103-82-2 Benzyl formate104-57-4 2'-Hydroxyacetophenone104809-67-8 O-Toluic acid118-90-1 2′-Hydroxyacetophenone118-93-4 3-Hydroxyacetophenone121-71-1 Phenyl acetate122-79-2 4-Anisaldehyde123-11-5

Elsewhere

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