2,6-Di-Tert-Butyl-4-(2-(3-Pyridinyl)Ethenyl)Phenol

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Properties Simple | Detailed

Formula C21H27NO
IUPAC Name 2,6-ditert-butyl-4-[(e)-2-(3-pyridyl)vinyl]phenol
Molecular Mass 309.445 g·mol−1
Heat of Formation -98.6 ± 16.7 kJ·mol−1
Dipole Moment 3.69 ± 1.08 D
Volume 409.98 Å 3
Surface Area 357.07 Å 2
HOMO Energy -8.53 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (e)-2,6-bis(1,1-dimethylethyl)-4-(2-(3-pyridinyl)ethenyl)phenol
  • 1,6-bpep
  • 2,3-di-t-butyl-4-(2-(3-pyridyl)ethenyl)phenol
  • 2,6-bis(1,1-dimethylethyl)-4-(2-(3-pyridinyl)ethenyl)phenol
  • 2,6-ditert-butyl-4-[(e)-2-(3-pyridyl)vinyl]phenol
  • 2,6-ditert-butyl-4-[(e)-2-pyridin-3-ylethenyl]phenol
  • phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-(3-pyridinyl)ethenyl)-
  • phenol, 2,6-bis(1,1-dimethylethyl)-4-(2-(3-pyridinyl)ethenyl)-, (e)-
CAS Number(s)
  • 116376-62-6
  • 115816-05-2
InChIKey LMLDPXXCYIXDSG-MDZDMXLPSA-N
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