2-(3,5-Di-Tert-Butyl-4-Hydroxybenzylidene)Cyclopent-4-Ene-1,3-Dione

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Properties Simple | Detailed

Formula C20H24O3
IUPAC Name 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]cyclopent-4-ene-1,3-dione
Molecular Mass 312.403 g·mol−1
Heat of Formation -384.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 400.93 Å 3
Surface Area 333.87 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((3,5-di-tert-butyl-4-hydroxyphenyl)-methylene)-4-cyclopentene-1,3-dione
  • 2-(3,5-ditert-butyl-4-hydroxy-benzylidene)cyclopent-4-ene-1,3-quinone
  • 2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylidene]cyclopent-4-ene-1,3-dione
  • 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylene]cyclopent-4-ene-1,3-dione
  • 2-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]cyclopent-4-ene-1,3-dione
  • cyclopent-4-ene-1,3-dione, 2-[[4-hydroxy-3,5-bis(1,1-dimethylethyl)phenyl]methyl]-
  • tx-1123
InChIKey VUEUMQIBGLKJJD-UHFFFAOYSA-N
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