Kalkipyrone

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Properties Simple | Detailed

Formula C20H28O4
IUPAC Name 2-[(2e,5e,7e,9r)-9-hydroxy-3,7-dimethyl-deca-2,5,7-trienyl]-6-methoxy-3,5-dimethyl-pyran-4-one
Molecular Mass 332.434 g·mol−1
Heat of Formation -597.2 ± 16.7 kJ·mol−1
Dipole Moment 7.58 ± 1.08 D
Volume 445.44 Å 3
Surface Area 381.75 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(2e,5e,7e,9r)-9-hydroxy-3,7-dimethyl-deca-2,5,7-trienyl]-6-methoxy-3,5-dimethyl-pyran-4-one
  • 2-[(2e,5e,7e,9r)-9-hydroxy-3,7-dimethyldeca-2,5,7-trienyl]-6-methoxy-3,5-dimethyl-4-pyranone
  • 2-[(2e,5e,7e,9r)-9-hydroxy-3,7-dimethyldeca-2,5,7-trienyl]-6-methoxy-3,5-dimethylpyran-4-one
InChIKey ZMSSBNLNFAIVPK-MTGFRBBYSA-N
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