tert-Butyl-1,4-benzoquinone

C₁₀H₁₂O₂CAS 3602-55-9164.20 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₂O₂
Molar mass: 164.20 g/mol
Exact mass: 164.0837 Da
Melting point: 59 °C
logP: 1.67Crippen estimate
Polar surface area: 34.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Identifiers

CAS number

3602-55-9

SMILES

CC(C)(C)C1=CC(=O)C=CC1=O

InChIKey

NCCTVAJNFXYWTM-UHFFFAOYSA-N

InChI

InChI=1S/C10H12O2/c1-10(2,3)8-6-7(11)4-5-9(8)12/h4-6H,1-3H3

Weigh it out

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

Names and synonyms

12 names

2,5-Cyclohexadiene-1,4-dione, 2-(1,1-dimethylethyl)-
p-Benzoquinone, 2-tert-butyl-
p-Benzoquinone, tert-butyl-
2-(1,1-Dimethylethyl)-2,5-cyclohexadiene-1,4-dione
tert-Butylquinone
tert-Butyl-p-benzoquinone
2-tert-Butyl-1,4-benzoquinone
2-tert-Butyl-p-benzoquinone
tert-Butylbenzoquinone
NSC 124503
2-(tert-Butyl)benzoquinone
2-tert-Butylcyclohexa-2,5-diene-1,4-dione

Work with tert-Butyl-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

2,5-Di-tert-butyl-1,4-benzoquinone2460-77-760 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-254 % similar Methyl-1,4-benzoquinone553-97-948 % similar 3,5-Di-tert-butyl-1,2-benzoquinone3383-21-942 % similar 4-[3,5-Bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one2455-14-340 % similar 1,4-Benzoquinone106-51-433 % similar

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

Same formula

4′-Hydroxybutyrophenone1009-11-6 Ethyl phenylacetate101-97-3 Methyl 3-phenylpropionate103-25-3 Phenethyl acetate103-45-7 Ethyl 3-methylbenzoate120-33-2 1-(4-Methoxyphenyl)-1-propanone121-97-1 Benzyl propionate122-63-4 4-Methoxyphenylacetone122-84-9

Elsewhere

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