Hu-331

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Properties Simple | Detailed

Formula C21H28O3
IUPAC Name 3-hydroxy-2-[(1r,6r)-6-isopropenyl-3-methyl-cyclohex-2-en-1-yl]-5-pentyl-1,4-benzoquinone
Molecular Mass 328.445 g·mol−1
Heat of Formation -447.6 ± 16.7 kJ·mol−1
Dipole Moment 1.93 ± 1.08 D
Volume 433.29 Å 3
Surface Area 371.03 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.74 ± eV
Point Group Symmetry C1
Synonyms
  • 3-hydroxy-2-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentyl-cyclohexa-2,5-diene-1,4-dione
  • 3-hydroxy-2-[(1r,6r)-3-methyl-6-prop-1-en-2-yl-1-cyclohex-2-enyl]-5-pentylcyclohexa-2,5-diene-1,4-dione
  • 3-hydroxy-2-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-5-pentyl-1,4-benzoquinone
  • 5-amyl-3-hydroxy-2-[(1r,6r)-6-isopropenyl-3-methyl-1-cyclohex-2-enyl]-p-benzoquinone
InChIKey WDXXEUARVHTWQF-DLBZAZTESA-N
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