Ethyl (4-{(2R)-2-[(1S,3S,5S)-3,5-Dimethyl-2-Oxocyclohexyl]-2-Hydroxyethyl}-2,6-Dioxo-1-Piperidinyl)Acetate

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Properties Simple | Detailed

Formula C19H29NO6
IUPAC Name ethyl 2-[4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxo-cyclohexyl]-2-hydroxy-ethyl]-2,6-dioxo-1-piperidyl]acetate
Molecular Mass 367.437 g·mol−1
Heat of Formation -1266.5 ± 16.7 kJ·mol−1
Dipole Moment 5.92 ± 1.08 D
Volume 448.02 Å 3
Surface Area 389.8 Å 2
HOMO Energy -9.96 ± 0.55 eV
LUMO Energy 3.35 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxo-1-piperidinyl]acetic acid ethyl ester
  • 2-[4-[(2r)-2-hydroxy-2-[(1s,3s,5s)-2-keto-3,5-dimethyl-cyclohexyl]ethyl]-2,6-diketo-1-piperidyl]acetic acid ethyl ester
  • ethyl 2-[4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxo-cyclohexyl]-2-hydroxy-ethyl]-2,6-dioxo-1-piperidyl]acetate
  • ethyl 2-[4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxo-cyclohexyl]-2-hydroxy-ethyl]-2,6-dioxo-piperidin-1-yl]ethanoate
  • ethyl 2-[4-[(2r)-2-[(1s,3s,5s)-3,5-dimethyl-2-oxocyclohexyl]-2-hydroxyethyl]-2,6-dioxopiperidin-1-yl]acetate
InChIKey KWCVNASRVVSXHH-NZBPQXDJSA-N
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