(2E)-2-[(4,5-Dimethoxy-2-Methyl-3,6-Dioxo-1,4-Cyclohexadien-1-Yl)Methylene]Undecanoic Acid

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Properties Simple | Detailed

Formula C21H30O6
IUPAC Name (2e)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-cyclohexa-1,4-dien-1-yl)methylene]undecanoic acid
Molecular Mass 378.459 g·mol−1
Heat of Formation -979.0 ± 16.7 kJ·mol−1
Dipole Moment 1.80 ± 1.08 D
Volume 484.14 Å 3
Surface Area 425.79 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -1.76 ± eV
Point Group Symmetry C1
Synonyms
  • (2e)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylene]undecanoic acid
  • (2e)-2-[(4,5-dimethoxy-2-methyl-3,6-dioxo-1-cyclohexa-1,4-dienyl)methylidene]undecanoic acid
  • (2e)-3-(5-(2,3-dimethoxy-6-methyl-1,4-benzoquinoyl))-2-nonyl-2-propenoic acid
  • (e)-3-(3,6-diketo-4,5-dimethoxy-2-methyl-1-cyclohexa-1,4-dienyl)-2-nonyl-acrylic acid
  • e-3330
  • undecanoic acid, 2-((4,5-dimethoxy-2-methyl-3,6-dioxo-1,4-cyclohexadien-1-yl)methylene)-, (e)-
CAS Number(s)
  • 136164-66-4
InChIKey AALSSIXXBDPENJ-FYWRMAATSA-N
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