Dictyoxepin

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Properties Simple | Detailed

Formula C20H32O2
IUPAC Name (5as,8s,9r,9as)-8-[(1r)-1,5-dimethylhex-4-enyl]-1,5a-dimethyl-7,8,9,9a-tetrahydro-6h-3-benzoxepin-9-ol
Molecular Mass 304.467 g·mol−1
Heat of Formation -421.9 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 416.41 Å 3
Surface Area 324.77 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 0.74 ± eV
Point Group Symmetry C1
Synonyms
  • (5as,6r,7s,9as)-5,9a-dimethyl-7-[(2r)-6-methylhept-5-en-2-yl]-6,7,8,9-tetrahydro-5ah-3-benzoxepin-6-ol
  • (5as,6r,7s,9as)-7-[(1r)-1,5-dimethylhex-4-enyl]-5,9a-dimethyl-6,7,8,9-tetrahydro-5ah-3-benzoxepin-6-ol
  • 3-benzoxepin-6-ol, 7-(1,5-dimethyl-4-hexenyl)-5a,6,7,8,9,9a-hexahydro-5,9a-dimethyl-, (5as-(5aalpha,6alpha,7alpha(s*),9aalpha))-
CAS Number(s)
  • 63250-21-5
InChIKey HFYSUZOICYWQHK-ZKIDJSGLSA-N
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