(5E)-4-Methyl-5-[(2E,4E)-3-Methyl-5-(2,6,6-Trimethyl-1-Cyclohexen-1-Yl)-2,4-Pentadien-1-Ylidene]-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C21H28O2
IUPAC Name (5e)-4-methyl-5-[(2e,4e)-3-methyl-5-(2,6,6-trimethylcyclohexen-1-yl)penta-2,4-dienylidene]pyran-2-one
Molecular Mass 312.446 g·mol−1
Heat of Formation -270.8 ± 16.7 kJ·mol−1
Dipole Moment 8.02 ± 1.08 D
Volume 423.98 Å 3
Surface Area 355.14 Å 2
HOMO Energy -9.06 ± 0.55 eV
LUMO Energy -0.63 ± eV
Point Group Symmetry C1
Synonyms
  • (5e)-4-methyl-5-[(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienylidene]-2-pyranone
  • (5e)-4-methyl-5-[(2e,4e)-3-methyl-5-(2,6,6-trimethyl-1-cyclohexenyl)penta-2,4-dienylidene]pyran-2-one
InChIKey WNJXJEKGNNOKTH-CQKXMAEQSA-N
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