2-{(5R)-5-Ethyl-2-Hydroxy-5-[(1E)-2-Methyl-1,3-Butadien-1-Yl]-4-Oxo-4,5-Dihydro-3-Thiophenyl}Acetamide

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Properties Simple | Detailed

Formula C13H17NO3S
IUPAC Name 2-[(5r)-5-ethyl-2-hydroxy-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxo-3-thienyl]acetamide
Molecular Mass 267.344 g·mol−1
Heat of Formation -465.4 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 321.64 Å 3
Surface Area 280.49 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(5r)-5-ethyl-2-hydroxy-4-keto-5-[(1e)-2-methylbuta-1,3-dienyl]-3-thienyl]acetamide
  • 2-[(5r)-5-ethyl-2-hydroxy-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxo-3-thienyl]acetamide
  • 2-[(5r)-5-ethyl-2-hydroxy-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxo-thiophen-3-yl]ethanamide
  • 2-[(5r)-5-ethyl-2-hydroxy-5-[(1e)-2-methylbuta-1,3-dienyl]-4-oxothiophen-3-yl]acetamide
  • 3-thiopheneacetamide, 5-ethyl-2,5-dihydro-4-hydroxy-5-(2-methyl-1,3-butadienyl)-2-oxo-, (r-(e))-
  • u 68204
  • u-86,204
CAS Number(s)
  • 98352-22-8
InChIKey FSPWDWMBUOSEHQ-SBDDDAINSA-N
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