[2-[(1S)-2,2-Dimethylcyclopropyl]Acetyl] 4-Methylpentanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1s)-2,2-dimethylcyclopropyl]acetyl] 4-methylpentanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -643.6 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 308.4 Å 3
Surface Area 293.75 Å 2
HOMO Energy -10.34 ± 0.55 eV
LUMO Energy 3.68 ± eV
Point Group Symmetry C1
InChIKey HIMWRRKAKOZWKE-SNVBAGLBSA-N
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Elements H C O