5,6,8-Trihydroxy-7-(3-Methyl-2-Buten-1-Yl)-1,4-Naphthoquinone

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Properties Simple | Detailed

Formula C15H14O5
IUPAC Name 5,6,8-trihydroxy-7-(3-methylbut-2-enyl)naphthalene-1,4-dione
Molecular Mass 274.269 g·mol−1
Heat of Formation -648.4 ± 16.7 kJ·mol−1
Dipole Moment 6.99 ± 1.08 D
Volume 306.86 Å 3
Surface Area 278.14 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.47 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-naphthalenedione, 2,5,8-trihydroxy-3-(3-methyl-2-butenyl)-
  • 2,5,8-trihydroxy-3-(3-methyl-2-butenyl)-1,4-naphthoquinone
  • 2,5,8-trihydroxy-3-(3-methyl-but-2-enyl)-[1,4]naphthoquinone
  • 2,5,8-trihydroxy-3-(3-methylbut-2-en-1-yl)naphthoquinone
  • 5,6,8-trihydroxy-7-(3-methylbut-2-enyl)-1,4-naphthoquinone
  • hydroxysesamone
InChIKey RJICYEJSENMVMX-UHFFFAOYSA-N
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