[2-[(1S)-2,2-Dimethylcyclopropyl]Acetyl] 3,3-Dimethylbutanoate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name [2-[(1s)-2,2-dimethylcyclopropyl]acetyl] 3,3-dimethylbutanoate
Molecular Mass 226.312 g·mol−1
Heat of Formation -652.0 ± 16.7 kJ·mol−1
Dipole Moment 4.30 ± 1.08 D
Volume 309.39 Å 3
Surface Area 284.82 Å 2
HOMO Energy -10.29 ± 0.55 eV
LUMO Energy 0.39 ± eV
Point Group Symmetry C1
InChIKey OIXKRVPTWSADMB-SECBINFHSA-N
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Elements H C O