3-(1-Hydroxy-3,4-Dioxo-3,4-Dihydro-2-Naphthalenyl)-2,2-Dimethylpropyl (2E,6E)-2,6-Dimethyl-2,6-Octadienoate

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Properties Simple | Detailed

Formula C25H30O5
IUPAC Name [3-(1-hydroxy-3,4-dioxo-2-naphthyl)-2,2-dimethyl-propyl] (2e,6e)-2,6-dimethylocta-2,6-dienoate
Molecular Mass 410.503 g·mol−1
Heat of Formation -799.5 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 514.31 Å 3
Surface Area 385.06 Å 2
HOMO Energy -9.32 ± 0.55 eV
LUMO Energy -1.41 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,6e)-2,6-dimethylocta-2,6-dienoic acid [3-(1-hydroxy-3,4-diketo-2-naphthyl)-2,2-dimethyl-propyl] ester
  • (2e,6e)-2,6-dimethylocta-2,6-dienoic acid [3-(1-hydroxy-3,4-dioxo-2-naphthyl)-2,2-dimethylpropyl] ester
  • 3-(3-hydroxy-1,4-dioxo(2-naphthyl))-2,2-dimethylpropyl (2e,6e)-2,6-dimethylocta-2,6-dienoate
  • [3-(1-hydroxy-3,4-dioxo-2-naphthyl)-2,2-dimethyl-propyl] (2e,6e)-2,6-dimethylocta-2,6-dienoate
  • [3-(1-hydroxy-3,4-dioxo-naphthalen-2-yl)-2,2-dimethyl-propyl] (2e,6e)-2,6-dimethylocta-2,6-dienoate
  • [3-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-2,2-dimethylpropyl] (2e,6e)-2,6-dimethylocta-2,6-dienoate
  • rhinacanthin-c
InChIKey CEPGYONTKGWENW-QIGLBIQCSA-N
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