4-[(1E,3E,5E)-5-(5-Oxo-3-Propyl-1,2-Oxazol-4(5H)-Ylidene)-1,3-Pentadien-1-Yl]-3-Propyl-1,2-Oxazol-5(2H)-One

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Properties Simple | Detailed

Formula C17H20N2O4
IUPAC Name (4e)-4-[(2e,4e)-5-(5-oxo-3-propyl-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-isoxazol-5-one
Molecular Mass 316.352 g·mol−1
Heat of Formation -193.4 ± 16.7 kJ·mol−1
Dipole Moment 11.14 ± 1.08 D
Volume 390.02 Å 3
Surface Area 364.62 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • (4e)-4-[(2e,4e)-5-(5-keto-3-propyl-2h-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-isoxazol-5-one
  • (4e)-4-[(2e,4e)-5-(5-oxo-3-propyl-2h-1,2-oxazol-4-yl)penta-2,4-dienylidene]-3-propyl-1,2-oxazol-5-one
  • (4e)-4-[(2e,4e)-5-(5-oxo-3-propyl-2h-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-5-isoxazolone
  • (4e)-4-[(2e,4e)-5-(5-oxo-3-propyl-2h-isoxazol-4-yl)penta-2,4-dienylidene]-3-propyl-isoxazol-5-one
  • 1,5-bis(5-oxo-3-propylisoxazol-4-yl)pentamethine oxonol
InChIKey SBJHIADVIBJMQL-QSEZCERFSA-N
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