(4As,9R,9Ar)-3,5,5,9-Tetramethyl-2,4A,5,6,7,8,9,9A-Octahydro-1H-Benzo[7]Annulen-9-Ol

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Properties Simple | Detailed

Formula C15H26O
IUPAC Name (4ar,5r,9as)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3h-benzo[7]annulen-5-ol
Molecular Mass 222.366 g·mol−1
Heat of Formation -339.4 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 307.04 Å 3
Surface Area 251.71 Å 2
HOMO Energy -9.11 ± 0.55 eV
LUMO Energy 1.43 ± eV
Point Group Symmetry C1
Synonyms
  • (4ar,5r,9as)-2,5,9,9-tetramethyl-4,4a,6,7,8,9a-hexahydro-3h-benzo[7]annulen-5-ol
  • 11alpha-himachal-4-en-11-ol
  • 1h-benzocyclohepten-9-ol, 2,4a-beta,5,6,7,8,9,9a-beta-octahydro-3,5,5,9-beta-tetramethyl-
  • 2,4a,5,6,7,8,9,9a-octahydro-3,5,5,9-tetramethyl-1h-benzocyclohepten-9-ol
  • 2,4a-beta,5,6,7,8,9,9a-beta-octahydro-3,5,5,9-beta-tetramethyl-1h-benzocyclohepten-9-ol
  • himachalol
CAS Number(s)
  • 1891-45-8
InChIKey BBAMLNIPVMLTSQ-VNHYZAJKSA-N
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