2,5-Di-tert-butyl-1,4-benzoquinone

C14H20O2CAS 2460-77-7220.31 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
152.5 °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 86 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
2460-77-7
SMILES
CC(C)(C)C1=CC(=O)C(C(C)(C)C)=CC1=O
InChIKey
ZZYASVWWDLJXIM-UHFFFAOYSA-N
InChI
InChI=1S/C14H20O2/c1-13(2,3)9-7-12(16)10(8-11(9)15)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

9 names
  • 2,5-Cyclohexadiene-1,4-dione, 2,5-bis(1,1-dimethylethyl)-
  • p-Benzoquinone, 2,5-di-tert-butyl-
  • 2,5-Bis(1,1-dimethylethyl)-2,5-cyclohexadiene-1,4-dione
  • 2,5-Di-tert-butyl-p-benzoquinone
  • 2,5-Di-tert-butylbenzoquinone
  • 2,5-Di-tert-butyl-2,5-cyclohexadiene-1,4-dione
  • NSC 43579
  • NSC 7489
  • 2,5-Ditert-butylcyclohexa-2,5-diene-1,4-dione

Work with 2,5-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

tert-Butyl-1,4-benzoquinone3602-55-960 % similar 3,3',5,5'-Tetra-tert-butyl-4,4'-dibenzoquinone2455-14-350 % similar 2,6-Di-tert-butyl-1,4-benzoquinone719-22-248 % similar Di-tert-butyl ketone815-24-738 % similar 2,2,6,6-Tetramethyl-3,5-heptanedione1118-71-435 % similar Pinacolone75-97-835 % similar 4-Benzylidene-2,6-di-tert-butylcyclohexa-2,5-dienone7078-98-034 % similar Pivalic anhydride1538-75-633 % 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-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

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