2-Hydroxy-5-Isopropyl- 2,4,6-Cycloheptatrienone

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Properties Simple | Detailed

Formula C10H12O2
IUPAC Name 2-hydroxy-5-isopropyl-cyclohepta-2,4,6-trien-1-one
Molecular Mass 164.201 g·mol−1
Heat of Formation -223.0 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 208.9 Å 3
Surface Area 201.12 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
Synonyms
  • .gamma.-thujaplicin
  • .gamma.-thujaplicine
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-5-(1-methylethyl)-
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-5-isopropyl-
  • 2,4,6-cycloheptatrien-1-one, 2-hydroxy-5-isopropyl- (8ci)
  • 2-hydroxy-5-isopropyl-1-cyclohepta-2,4,6-trienone
  • 2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-*
  • 2-hydroxy-5-isopropyl-2,4,6-cycloheptatrien-1-one
  • 2-hydroxy-5-isopropylcyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-5-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-5-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 5-isopropyltropolone
  • gamma-thujaplicin
  • gamma-thujaplicine
  • thujaplicin, a-
  • thujaplicin, alpha
CAS Number(s)
  • 672-76-4
InChIKey WKEWHSLZDDZONF-UHFFFAOYSA-N
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