[(3S)-3-Methylhexanoyl] (1S)-2,2-Dimethylcyclopropanecarboxylate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [(3s)-3-methylhexanoyl] (1s)-2,2-dimethylcyclopropanecarboxylate
Molecular Mass 226.312 g·mol−1
Heat of Formation -645.6 ± 16.7 kJ·mol−1
Dipole Moment 3.46 ± 1.08 D
Volume 309.4 Å 3
Surface Area 288.01 Å 2
HOMO Energy -10.51 ± 0.55 eV
LUMO Energy 3.56 ± eV
Point Group Symmetry C1
InChIKey YOJJKOFPIKYPSI-VHSXEESVSA-N
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Elements H C O