(2E,4E)-5-[(1R)-1-Hydroxy-2,6,6-Trimethyl-4-Oxo-2-Cyclohexen-1-Yl]-3-Methyl-2,4-Pentadienoic Acid

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name (2e,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxo-cyclohex-2-en-1-yl]-3-methyl-penta-2,4-dienoic acid
Molecular Mass 264.317 g·mol−1
Heat of Formation -703.6 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 336.39 Å 3
Surface Area 288.77 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.21 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid
  • (2e,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid
  • (2e,4e)-5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid
  • (2e,4e)-5-[(1r)-1-hydroxy-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid
  • (7e,9e)-(6r)-6-hydroxy-3-oxo-11-apo-epsilon-caroten-11-oic acid
  • (r)-2-trans-abscisic acid
  • 5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid
  • 5-[(1r)-1-hydroxy-2,6,6-trimethyl-4-oxo-1-cyclohex-2-enyl]-3-methylpenta-2,4-dienoic acid
  • 5-[(1r)-1-hydroxy-4-keto-2,6,6-trimethyl-1-cyclohex-2-enyl]-3-methyl-penta-2,4-dienoic acid
InChIKey JLIDBLDQVAYHNE-XQFZKXHBSA-N
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