chempirical

2,6-Di-tert-butyl-1,4-benzoquinone

C14H20O2CAS 719-22-2220.31 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C14H20O2
Molar mass
220.31 g/mol
Exact mass
220.1463 Da
Melting point
65–67 °C
Boiling point
65–67 °C (at 1 Torr)
logP
3.08Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Identifiers

CAS number
719-22-2
SMILES
CC(C)(C)C1=CC(=O)C=C(C(C)(C)C)C1=O
InChIKey
RDQSIADLBQFVMY-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c1-13(2,3)10-7-9(15)8-11(12(10)16)14(4,5)6/h7-8H,1-6H3

Weigh it out

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

Names and synonyms

14 names · show all
  • 2,5-Cyclohexadiene-1,4-dione, 2,6-bis(1,1-dimethylethyl)-
  • p-Benzoquinone, 2,6-di-tert-butyl-
  • 2,6-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione
  • 2,6-Di-tert-butyl-p-quinone
  • 2,6-Di-tert-butylbenzoquinone
  • 2,6-Di-tert-butyl-p-benzoquinone
  • 2,6-Di-tert-butylquinone
  • 3,5-Di-tert-butyl-p-benzoquinone
  • 3,5-Di-tert-butylquinone
  • 2,6-Di-tert-butyl-2,5-cyclohexadiene-1,4-dione
  • NSC 14448
  • 2,6-Di-tert-butyl-2,5-cyclohexadien-1,4-dione
  • 2,6-Bis[1,1-dimethyl ethyl]quinone
  • 2,6-Ditert-butylcyclohexa-2,5-diene-1,4-dione

Work with 2,6-Di-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

4-[3,5-Bis(1,1-dimethylethyl)-4-oxo-2,5-cyclohexadien-1-ylidene]-2,6-bis(1,1-dimethylethyl)-2,5-cyclohexadien-1-one2455-14-370 % similar tert-Butyl-1,4-benzoquinone3602-55-954 % similar 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone7078-98-047 % similar 2,6-Dimethyl-1,4-benzoquinone527-61-742 % similar 2,6-Diisopropyl-1,4-benzoquinone1988-11-038 % similar 2,6-Dimethoxybenzoquinone530-55-238 % similar 2,6-Dichloro-1,4-benzoquinone697-91-637 % similar Phorone504-20-136 % similar

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

Same formula

Dimethylbenzylcarbinyl butyrate10094-34-5 2,5-Di-tert-butyl-1,4-benzoquinone2460-77-7 2-Methyl-2-adamantyl acrylate249562-06-9 3-Cyclohexenylmethyl 3-cyclohexenecarboxylate2611-00-9 8-Phenyloctanoic acid26547-51-3 4-(Heptyloxy)benzaldehyde27893-41-0 3,5-Di-tert-butyl-1,2-benzoquinone3383-21-9 Dicyclopentanyl methacrylate34759-34-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook