2-Methyl-3-[(2E,7R,11R)-3,7,11,15-Tetramethyl-2-Hexadecen-1-Yl]-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C27H44O2
IUPAC Name 2-methyl-3-[(e,7r,11r)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone
Molecular Mass 400.637 g·mol−1
Heat of Formation -552.3 ± 16.7 kJ·mol−1
Dipole Moment 2.05 ± 1.08 D
Volume 574.92 Å 3
Surface Area 416.96 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry C1
Synonyms
  • 2,5-cyclohexadiene-1,4-dione, 2-methyl-3-(3,7,11,15-tetramethyl-2-hexadecenyl)-, (r-(r*,r*-(e)))-
  • 2-methyl-3-[(e,7r,11r)-3,7,11,15-tetramethylhexadec-2-enyl]-1,4-benzoquinone
  • 2-methyl-3-[(e,7r,11r)-3,7,11,15-tetramethylhexadec-2-enyl]-p-benzoquinone
  • 2-methyl-3-phytylbenzoquinone
  • 2-methyl-6-phytylbenzoquinone
  • 3-phytyltoluquinone
  • demethylphytylplastoquinone
CAS Number(s)
  • 76448-36-7
InChIKey WUBPLEBNSABUOT-UOFXASEASA-N
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