(1R)-2-Methyl-4-Oxo-3-Prop-2-Yn-1-Ylcyclopent-2-En-1-Yl (1S,3S)-2,2-Dimethyl-3-(2-Methylprop-1-En-1-Yl)Cyclopropanecarboxylate

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Properties Simple | Detailed

Formula C19H24O3
IUPAC Name [(1r)-2-methyl-4-oxo-3-prop-2-ynyl-cyclopent-2-en-1-yl] (1s,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropanecarboxylate
Molecular Mass 300.392 g·mol−1
Heat of Formation -261.7 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 403.56 Å 3
Surface Area 354.08 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)-1-cyclopropanecarboxylic acid [(1r)-2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl] ester
  • (1s,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylic acid [(1r)-4-keto-2-methyl-3-propargyl-1-cyclopent-2-enyl] ester
  • [(1r)-2-methyl-4-oxo-3-prop-2-ynyl-1-cyclopent-2-enyl] (1s,3s)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
InChIKey SMKRKQBMYOFFMU-USXIJHARSA-N
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