Trans-3-Methyl-4-Octanolide

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Properties Simple | Detailed

Formula C9H16O2
IUPAC Name (4r,5s)-5-butyl-4-methyl-tetrahydrofuran-2-one
Molecular Mass 156.222 g·mol−1
Heat of Formation -495.4 ± 16.7 kJ·mol−1
Dipole Moment 4.81 ± 1.08 D
Volume 212.14 Å 3
Surface Area 210.18 Å 2
HOMO Energy -10.64 ± 0.55 eV
LUMO Energy 4.19 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,5s)-5-butyl-4-methyl-2-tetrahydrofuranone
  • (4r,5s)-5-butyl-4-methyl-oxolan-2-one
  • (4r,5s)-5-butyl-4-methyl-tetrahydrofuran-2-one
  • (4r,5s)-5-butyl-4-methyloxolan-2-one
InChIKey WNVCMFHPRIBNCW-SFYZADRCSA-N
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