(+)-Davanone

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Properties Simple | Detailed

Formula C15H24O2
IUPAC Name (2s)-6-methyl-2-[(2s,5r)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-5-en-3-one
Molecular Mass 236.350 g·mol−1
Heat of Formation -413.3 ± 16.7 kJ·mol−1
Dipole Moment 3.94 ± 1.08 D
Volume 328.43 Å 3
Surface Area 271.11 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 0.89 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-[(2s,5r)-5-ethenyl-5-methyl-oxolan-2-yl]-6-methyl-hept-5-en-3-one
  • (2s)-2-[(2s,5r)-5-ethenyl-5-methyloxolan-2-yl]-6-methylhept-5-en-3-one
  • (2s)-6-methyl-2-[(2s,5r)-5-methyl-5-vinyl-2-tetrahydrofuranyl]hept-5-en-3-one
  • (2s)-6-methyl-2-[(2s,5r)-5-methyl-5-vinyl-tetrahydrofuran-2-yl]hept-5-en-3-one
  • acon0_000084
  • acon1_001276
  • megxp0_001579
CAS Number(s)
  • 20482-11-5
InChIKey FJKKZNIYYVEYOL-SNPRPXQTSA-N
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DOI
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