(1S)-1-(5,8-Dihydroxy-1,4-Dioxo-1,4-Dihydro-2-Naphthalenyl)-4-Methyl-3-Penten-1-Yl 3-Methyl-2-Butenoate

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Properties Simple | Detailed

Formula C21H22O6
IUPAC Name [(1s)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate
Molecular Mass 370.396 g·mol−1
Heat of Formation -917.5 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 435.63 Å 3
Surface Area 376.81 Å 2
HOMO Energy -9.05 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 3-methylbut-2-enoic acid [(1s)-1-(5,8-dihydroxy-1,4-diketo-2-naphthyl)-4-methyl-pent-3-enyl] ester
  • 3-methylbut-2-enoic acid [(1s)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methylpent-3-enyl] ester
  • [(1s)-1-(5,8-dihydroxy-1,4-dioxo-2-naphthyl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate
  • [(1s)-1-(5,8-dihydroxy-1,4-dioxo-naphthalen-2-yl)-4-methyl-pent-3-enyl] 3-methylbut-2-enoate
  • [(1s)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate
CAS Number(s)
  • 5162-01-6
InChIKey BATBOVZTQBLKIL-KRWDZBQOSA-N
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