3,5-Di-tert-butyl-1,2-benzoquinone

C14H20O2CAS 3383-21-9220.31 g/mol

Open in Covalent MOL file
OO
AlkeneKetone

Properties

Molecular formula
C14H20O2
Molar mass
220.31 g/mol
Exact mass
220.1463 Da
Density
0.87 g/mL
Melting point
113–114 °C
logP
3.08Crippen estimate
Polar surface area
34.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3383-21-9
SMILES
CC(C)(C)C1=CC(=O)C(=O)C(C(C)(C)C)=C1
InChIKey
NOUZOVBGCDDMSX-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c1-13(2,3)9-7-10(14(4,5)6)12(16)11(15)8-9/h7-8H,1-6H3

Weigh it out

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

Names and synonyms

13 names · show all
  • 3,5-Cyclohexadiene-1,2-dione, 3,5-bis(1,1-dimethylethyl)-
  • o-Benzoquinone, 3,5-di-tert-butyl-
  • 3,5-Bis(1,1-dimethylethyl)-3,5-cyclohexadiene-1,2-dione
  • 4,6-Di-tert-butyl-1,2-benzoquinone
  • 3,5-Di-tert-butyl-o-quinone
  • 4,6-Di-tert-butyl-o-benzoquinone
  • 3,5-Di-tert-butyl-o-benzoquinone
  • NSC 149061
  • DTBQ
  • 3,5-Di-t-butyl-o-quinone
  • 3,5-Di-tert-butylcyclohexa-3,5-diene-1,2-dione
  • 3,5-Di-tert-butylquinone
  • 3,5-Ditert-butylcyclohexa-3,5-diene-1,2-dione

Work with 3,5-Di-tert-butyl-1,2-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

3,3',5,5'-Tetra-tert-butyl-4,4'-dibenzoquinone2455-14-354 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-252 % similar tert-Butyl-1,4-benzoquinone3602-55-942 % similar 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone7078-98-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Dimethylbenzylcarbinyl butyrate10094-34-5 1-Adamantyl methacrylate16887-36-8 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 Dicyclopentanyl methacrylate34759-34-7

Elsewhere

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