2,6-Diisopropyl-1,4-benzoquinone

C₁₂H₁₆O₂CAS 1988-11-0192.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₆O₂
Molar mass: 192.26 g/mol
Exact mass: 192.1150 Da
Boiling point: 130–131 °C (at NaN Torr)
logP: 2.30Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

1988-11-0

SMILES

CC(C)C1=CC(=O)C=C(C(C)C)C1=O

InChIKey

DDXYWFGBQZICBD-UHFFFAOYSA-N

InChI

InChI=1S/C12H16O2/c1-7(2)10-5-9(13)6-11(8(3)4)12(10)14/h5-8H,1-4H3

Weigh it out

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

Names and synonyms

8 names

2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1-methylethyl)-
p-Benzoquinone, 2,6-diisopropyl-
2,6-Bis(1-methylethyl)-2,5-cyclohexadiene-1,4-dione
2,6-Diisopropyl-p-benzoquinone
2,3-Diisopropyl-p-benzoquinone
2,6-Di(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
2,6-Bis(propan-2-yl)cyclohexa-2,5-diene-1,4-dione
2,6-Diisopropylcyclohexa-2,5-diene-1,4-dione

Work with 2,6-Diisopropyl-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

2,6-Dimethyl-1,4-benzoquinone527-61-742 % similar 2,6-Dimethoxybenzoquinone530-55-238 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-238 % similar 2,6-Dichloro-1,4-benzoquinone697-91-637 % similar Phorone504-20-136 % similar 2,6-Dimethyl-3,5-heptanedione18362-64-635 % similar Diisopropyl ketone565-80-033 % similar

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

Same formula

Isobutyl phenylacetate102-13-6 Benzyl isovalerate103-38-8 2-Phenylethyl isobutyrate103-48-0 2-Phenylethyl butanoate103-52-6 Butyl phenylacetate122-43-0 2-(4-Ethylphenyl)-2-methylpropanoic acid1247119-83-0 1,1-Dimethylethyl 4-methylbenzoate13756-42-8 Dimethylbenzylcarbinyl acetate151-05-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook