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

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Properties Simple | Detailed

Formula C15H26O
IUPAC Name (7s,9as)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
Molecular Mass 222.366 g·mol−1
Heat of Formation -347.2 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 309.62 Å 3
Surface Area 251.26 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.25 ± eV
Point Group Symmetry C1
Synonyms
  • (7s,9as)-4,4,7,9a-tetramethyl-1,2,3,6,8,9-hexahydrobenzo[7]annulen-7-ol
  • 1h-benzocyclohepten-7-ol, 2,3,4,4a,5,6,7,8-octahydro-1,1,4a,7-tetramethyl-, (4as-cis)-
CAS Number(s)
  • 6892-80-4
InChIKey BXGVVQADPFXGHD-LSDHHAIUSA-N
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