4-Methyl-1-[(2R,5S)-5-Methyl-2,3,4,5-Tetrahydro-2,3'-Bifuran-5-Yl]-2-Pentanone

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Properties Simple | Detailed

Formula C15H22O3
IUPAC Name 1-[(2s,5r)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]-4-methyl-pentan-2-one
Molecular Mass 250.333 g·mol−1
Heat of Formation -531.3 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 330.5 Å 3
Surface Area 265.03 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-ngaione
  • 1-[(2s,5r)-5-(3-furyl)-2-methyl-2-tetrahydrofuranyl]-4-methylpentan-2-one
  • 1-[(2s,5r)-5-(3-furyl)-2-methyl-tetrahydrofuran-2-yl]-4-methyl-pentan-2-one
  • 1-[(2s,5r)-5-furan-3-yl-2-methyl-oxolan-2-yl]-4-methyl-pentan-2-one
  • 1-[(2s,5r)-5-furan-3-yl-2-methyloxolan-2-yl]-4-methylpentan-2-one
  • ipomoeamarone
InChIKey WOFDWNOSFDVCDF-CABCVRRESA-N
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