3-Hydroxy-5-Methyl-2-[(2S)-6-Methyl-5-Hepten-2-Yl]-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C15H20O3
IUPAC Name 2-[(1s)-1,5-dimethylhex-4-enyl]-3-hydroxy-5-methyl-1,4-benzoquinone
Molecular Mass 248.317 g·mol−1
Heat of Formation -461.3 ± 16.7 kJ·mol−1
Dipole Moment 2.87 ± 1.08 D
Volume 324.67 Å 3
Surface Area 277.43 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 1.14 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-(1,5-dimethyl-4-hexenyl)-3-hydroxy-5-methyl-
  • 2-(1,5-dimethylhex-4-en-1-yl)-3-hydroxy-5-methylbenzo-1,4-quinone
  • 2-[(1s)-1,5-dimethylhex-4-enyl]-3-hydroxy-5-methyl-1,4-benzoquinone
  • 2-[(1s)-1,5-dimethylhex-4-enyl]-3-hydroxy-5-methyl-p-benzoquinone
  • 3,5-cyclohexadiene-1,2-dione, 3-(1,5-dimethyl-4-hexenyl)-4-hydroxy-6-methyl-
  • 3-(1,5-dimethylhex-4-en-1-yl)-4-hydroxy-6-methylbenzo-1,2-quinone
  • 3-hydroxy-5-methyl-2-[(2s)-6-methylhept-5-en-2-yl]cyclohexa-2,5-diene-1,4-dione
InChIKey JZXORCGMYQZBBQ-JTQLQIEISA-N
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