(2E,4E)-5-(7-Methoxy-3,3-Dimethyl-2,3-Dihydro-1-Benzoxepin-5-Yl)-3-Methyl-2,4-Pentadienoic Acid

Molecule SVG Image

Properties Simple | Detailed

Formula C19H22O4
IUPAC Name (2e,4e)-5-(7-methoxy-3,3-dimethyl-2h-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
Molecular Mass 314.376 g·mol−1
Heat of Formation -515.4 ± 16.7 kJ·mol−1
Dipole Moment 4.38 ± 1.08 D
Volume 388.6 Å 3
Surface Area 349.65 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-5-(7-methoxy-3,3-dimethyl-2,3-dihydro-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid
  • (2e,4e)-5-(7-methoxy-3,3-dimethyl-2h-1-benzoxepin-5-yl)-3-methyl-penta-2,4-dienoic acid
  • (2e,4e)-5-(7-methoxy-3,3-dimethyl-2h-1-benzoxepin-5-yl)-3-methylpenta-2,4-dienoic acid
  • oxeglitazar
CAS Number(s)
  • 280585-34-4
InChIKey FVGXANXBVWECQE-BYWGDBCOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O