5,5'-Bis(2-Methyl-2-Propanyl)-1,1'-Bi(1,4-Cyclohexadien-1-Yl)-3,3',6,6'-Tetrone

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Properties Simple | Detailed

Formula C20H22O4
IUPAC Name 2-tert-butyl-6-(5-tert-butyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)-1,4-benzoquinone
Molecular Mass 326.386 g·mol−1
Heat of Formation -453.1 ± 16.7 kJ·mol−1
Dipole Moment 3.37 ± 1.08 D
Volume 403.59 Å 3
Surface Area 328.25 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy -2.05 ± eV
Point Group Symmetry C2
Synonyms
  • (bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 5,5'-bis(1,1-dimethylethyl)-
  • (bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone, 5,5'-di-tert-butyl-
  • 2-tert-butyl-6-(5-tert-butyl-3,6-diketo-1-cyclohexa-1,4-dienyl)-p-benzoquinone
  • 2-tert-butyl-6-(5-tert-butyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)-1,4-benzoquinone
  • 2-tert-butyl-6-(5-tert-butyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)cyclohexa-2,5-diene-1,4-dione
  • 3,3'-di-tert-butyl-biphenyldiquinone-(2,5,2',5')
  • 3,3'-di-tert-butylbiphenyldiquinone-(2,5,2',5')
  • 5,5'-bis(1,1-dimethylethyl)-(bi-1,4-cyclohexadien-1-yl)-3,3'-6,6'-tetrone
  • 5,5'-di-tert-butyl-(bi-1,4-cyclohexadien-1-yl)-3,3',6,6'-tetrone
CAS Number(s)
  • 14160-38-4
InChIKey UONJIDASBODQID-UHFFFAOYSA-N
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