2-[(2E,5E,7E,9R,10R,11E)-10-Hydroxy-3,7,9,11-Tetramethyl-2,5,7,11-Tridecatetraen-1-Yl]-6-Methoxy-3,5-Dimethyl-4H-Pyran-4-One

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Properties Simple | Detailed

Formula C25H36O4
IUPAC Name 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-pyran-4-one
Molecular Mass 400.551 g·mol−1
Heat of Formation -612.8 ± 16.7 kJ·mol−1
Dipole Moment 4.32 ± 1.08 D
Volume 549.88 Å 3
Surface Area 461.11 Å 2
HOMO Energy -9.16 ± 0.55 eV
LUMO Energy -0.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyl-trideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-pyran-4-one
  • 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethyl-4-pyranone
  • 2-[(2e,5e,7e,9r,10r,11e)-10-hydroxy-3,7,9,11-tetramethyltrideca-2,5,7,11-tetraenyl]-6-methoxy-3,5-dimethylpyran-4-one
InChIKey PFVSUJLJFXJPMF-DNSWMBNWSA-N
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