Methyl {(1R,6Z)-6-[(2E)-1-Hydroxy-3-Phenyl-2-Propen-1-Ylidene]-5-Oxo-3-Cyclohexen-1-Yl}Acetate

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Properties Simple | Detailed

Formula C18H18O4
IUPAC Name methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-cyclohex-3-en-1-yl]acetate
Molecular Mass 298.333 g·mol−1
Heat of Formation -508.4 ± 16.7 kJ·mol−1
Dipole Moment 4.99 ± 1.08 D
Volume 359.67 Å 3
Surface Area 302.59 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.91 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-keto-1-cyclohex-3-enyl]acetic acid methyl ester
  • 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetic acid methyl ester
  • methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetate
  • methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenyl-prop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]ethanoate
  • methyl 2-[(1r,6z)-6-[(e)-1-hydroxy-3-phenylprop-2-enylidene]-5-oxo-1-cyclohex-3-enyl]acetate
InChIKey HAXYQNFQUDHACW-LVJWOEPNSA-N
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