1,4-Naphthalenedione, 2-[1- (Acetyloxy)-4-Methyl-3-Pentenyl]-5,8-Dihydroxy-, (R)-

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Properties Simple | Detailed

Formula C18H18O6
IUPAC Name [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] acetate
Molecular Mass 330.332 g·mol−1
Heat of Formation -940.3 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 380.5 Å 3
Surface Area 318.47 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -1.95 ± eV
Point Group Symmetry C1
Synonyms
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] acetate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] ethanoate
  • [(1r)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] acetate
  • acetic acid [(1r)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
  • acetic acid [(1r)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester
InChIKey WNFXUXZJJKTDOZ-OAHLLOKOSA-N
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