2-(12-Hydroxy-5,10-Dodecadiyn-1-Yl)-5,6-Dimethoxy-3-Methyl-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C21H26O5
IUPAC Name 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-1,4-benzoquinone
Molecular Mass 358.428 g·mol−1
Heat of Formation -348.4 ± 16.7 kJ·mol−1
Dipole Moment 2.63 ± 1.08 D
Volume 470.28 Å 3
Surface Area 371.78 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -1.68 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-(12-hydroxy-5,10-dodecadiynyl)-5,6-dimethoxy-3-methyl-
  • 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-cyclohexa-2,5-diene-1,4-dione
  • 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methyl-p-benzoquinone
  • 2-(12-hydroxydodeca-5,10-diynyl)-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione
  • aa 863
  • aa-863
CAS Number(s)
  • 80809-95-6
InChIKey XZNSTIQKLTYQRE-UHFFFAOYSA-N
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