(5R)-3-[(1R)-1-Hydroxyoctyl]-5-Methyl-2(5H)-Furanone

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name (2r)-4-[(1r)-1-hydroxyoctyl]-2-methyl-2h-furan-5-one
Molecular Mass 226.312 g·mol−1
Heat of Formation -643.2 ± 16.7 kJ·mol−1
Dipole Moment 4.90 ± 1.08 D
Volume 303.15 Å 3
Surface Area 288.96 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 2.35 ± eV
Point Group Symmetry C1
Synonyms
  • (5r)-3-[(1r)-1-hydroxyoctyl]-5-methyl-5h-furan-2-one
  • 2(5h)-furanone, 3-(1-hydroxyoctyl)-5-methyl-
  • 3-(1-hydroxyoctyl)-5-methyl-2(5h)-furanone
  • acaterin
CAS Number(s)
  • 144398-20-9
InChIKey YUMHJXLSSASJGN-ZYHUDNBSSA-N
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