(1R,5S,7R)-7-Ethyl-5-Methyl-6,8-Dioxabicyclo[3.2.1]Oct-2-Ene

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Properties Simple | Detailed

Formula C9H14O2
IUPAC Name (1r,5s,7r)-7-ethyl-5-methyl-6,8-dioxabicyclo[3.2.1]oct-2-ene
Molecular Mass 154.206 g·mol−1
Heat of Formation -362.3 ± 16.7 kJ·mol−1
Dipole Moment 0.80 ± 1.08 D
Volume 197.86 Å 3
Surface Area 188.05 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy 0.81 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r,6r)-6-ethyl-1-methyl-7,8-dioxabicyclo[3.2.1]oct-3-ene
  • 2,3-dehydro-exo-brevicomin
  • 2,3-dehydrobrevicomin
CAS Number(s)
  • 96575-24-5
InChIKey PZALCNPWXZZASR-HLTSFMKQSA-N
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