5-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyloctacosa-2,6,10,14,18,22,26-Heptaenyl]-2,3-Dimethylbenzo-1,4-Quinone

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Properties Simple | Detailed

Formula C43H64O2
IUPAC Name 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethyl-1,4-benzoquinone
Molecular Mass 612.967 g·mol−1
Heat of Formation -391.2 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 898.8 Å 3
Surface Area 749.8 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy 1.55 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethyl-1,4-benzoquinone
  • 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethyl-cyclohexa-2,5-diene-1,4-dione
  • 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethyl-p-benzoquinone
  • 5-[(2e,6e,10e,14e,18e,22e)-3,7,11,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaenyl]-2,3-dimethylcyclohexa-2,5-diene-1,4-dione
InChIKey JXUCGUASMMLSBH-HOHOQCMASA-N
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