(2E,5E)-7-Ethoxy-4,7-Dioxo-2,5-Heptadien-1-Yl Benzoate

Molecule SVG Image

Properties Simple | Detailed

Formula C16H16O5
IUPAC Name [(2e,5e)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate
Molecular Mass 288.295 g·mol−1
Heat of Formation -641.0 ± 16.7 kJ·mol−1
Dipole Moment 2.35 ± 1.08 D
Volume 344.03 Å 3
Surface Area 339.93 Å 2
HOMO Energy -10.30 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-heptadienoic acid, 7-(benzoyloxy)-4-oxo-, ethyl ester, (e,e)-
  • [(2e,5e)-7-ethoxy-4,7-dioxo-hepta-2,5-dienyl] benzoate
  • [(2e,5e)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] benzoate
  • benzoic acid [(2e,5e)-7-ethoxy-4,7-diketo-hepta-2,5-dienyl] ester
  • benzoic acid [(2e,5e)-7-ethoxy-4,7-dioxohepta-2,5-dienyl] ester
  • homomelodienone
CAS Number(s)
  • 135626-20-9
InChIKey FCTFULMZKQYRQV-GOKBKIRCSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O