Methyl (1E,5R,9S,12R)-12-Isopropyl-5,9-Dimethyl-3,10,13-Trioxo-1-Cyclotetradecene-1-Carboxylate

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Formula C21H32O5
IUPAC Name methyl (1e,5r,9s,12r)-12-isopropyl-5,9-dimethyl-3,10,13-trioxo-cyclotetradecene-1-carboxylate
Molecular Mass 364.476 g·mol−1
Heat of Formation -1019.7 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 472.65 Å 3
Surface Area 357.25 Å 2
HOMO Energy -9.86 ± 0.55 eV
LUMO Energy -0.55 ± eV
Point Group Symmetry C1
Synonyms
  • (1e,5r,9s,12r)-12-isopropyl-3,10,13-triketo-5,9-dimethyl-cyclotetradecene-1-carboxylic acid methyl ester
  • (1e,5r,9s,12r)-12-isopropyl-5,9-dimethyl-3,10,13-trioxo-1-cyclotetradecenecarboxylic acid methyl ester
  • methyl (1e,5r,9s,12r)-12-isopropyl-5,9-dimethyl-3,10,13-trioxo-cyclotetradecene-1-carboxylate
  • methyl (1e,5r,9s,12r)-5,9-dimethyl-3,10,13-trioxo-12-propan-2-yl-cyclotetradecene-1-carboxylate
  • methyl (1e,5r,9s,12r)-5,9-dimethyl-3,10,13-trioxo-12-propan-2-ylcyclotetradecene-1-carboxylate
InChIKey FDULQXJIBZLYBH-CJFOREIUSA-N
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