1-(3,5-Di-Tert-Butyl-4-Hydroxyphenyl)Hex-5-Yn-1-One

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Properties Simple | Detailed

Formula C20H28O2
IUPAC Name 1-(3,5-ditert-butyl-4-hydroxy-phenyl)hex-5-yn-1-one
Molecular Mass 300.435 g·mol−1
Heat of Formation -257.0 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 415.84 Å 3
Surface Area 355.92 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy -0.25 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-5-hexyn-1-one
  • 1-(3,5-ditert-butyl-4-hydroxyphenyl)hex-5-yn-1-one
  • 3',5'-di-tert-butyl-4'-hydroxy-5-hexynophenone
  • 5-hexyn-1-one, 1-(3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl)-
  • d06017
  • ne 11740
  • tebufelone
  • tebufelone (usan)
CAS Number(s)
  • 112018-00-5
InChIKey ZHXUEUKVDMWSKV-UHFFFAOYSA-N
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