(6S)-6-[2-(1,3-Benzodioxol-5-Yl)Ethyl]-4-Methoxy-5,6-Dihydro-2H-Pyran-2-One

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Properties Simple | Detailed

Formula C15H16O5
IUPAC Name (2s)-2-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-2,3-dihydropyran-6-one
Molecular Mass 276.285 g·mol−1
Heat of Formation -654.0 ± 16.7 kJ·mol−1
Dipole Moment 7.25 ± 1.08 D
Volume 320.21 Å 3
Surface Area 299.4 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy -0.16 ± eV
Point Group Symmetry C1
Synonyms
  • (6s)-6-[2-(1,3-benzodioxol-5-yl)ethyl]-4-methoxy-5,6-dihydropyran-2-one
  • 2h-pyran-2-one, 5,6-dihydro-4-methoxy-6-(3,4-(methylenedioxy)phenethyl)-, (s)-
  • 2h-pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (s)-
  • 2h-pyran-2-one, 6-(2-(1,3-benzodioxol-5-yl)ethyl)-5,6-dihydro-4-methoxy-, (s)- (9ci)
  • acon0_000957
  • acon1_001371
  • dihydromethysticin (van)
  • megxp0_001718
InChIKey RSIWXFIBHXYNFM-NSHDSACASA-N
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