2H-Pyran-3(6H)-One, 2-((Acetyloxy)Methyl)-6-(1-Cyclohexen-1-Ylmethyl)-, Trans-

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Properties Simple | Detailed

Formula C15H20O4
IUPAC Name [(2r,6r)-2-(cyclohexen-1-ylmethyl)-5-oxo-2h-pyran-6-yl]methyl acetate
Molecular Mass 264.317 g·mol−1
Heat of Formation -657.1 ± 16.7 kJ·mol−1
Dipole Moment 4.48 ± 1.08 D
Volume 330.32 Å 3
Surface Area 287.64 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.41 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((acetyloxy)methyl)-6-(1-cyclohexen-1-ylmethyl)-2h-pyran-3(6h)-one trans-
  • [(2r,6r)-6-(1-cyclohexenylmethyl)-3-oxo-6h-pyran-2-yl]methyl ethanoate
  • acetic acid [(2r,6r)-6-(1-cyclohexenylmethyl)-3-keto-6h-pyran-2-yl]methyl ester
  • acetic acid [(2r,6r)-6-(1-cyclohexenylmethyl)-3-oxo-6h-pyran-2-yl]methyl ester
  • kcg 10
  • kcg-10
CAS Number(s)
  • 145011-49-0
InChIKey FMLSROHHIGTCHY-DZGCQCFKSA-N
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