5-Methylhexanoyl (1S,2S)-2-Methylcyclobutanecarboxylate

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name 5-methylhexanoyl (1s,2s)-2-methylcyclobutanecarboxylate
Molecular Mass 226.312 g·mol−1
Heat of Formation -675.5 ± 16.7 kJ·mol−1
Dipole Moment 4.39 ± 1.08 D
Volume 305.68 Å 3
Surface Area 293.15 Å 2
HOMO Energy -10.44 ± 0.55 eV
LUMO Energy 3.62 ± eV
Point Group Symmetry C1
InChIKey UOPCSRHNSGUFSQ-QWRGUYRKSA-N
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Elements H C O