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

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Properties Simple | Detailed

Formula C13H22O3
IUPAC Name 5-methylhexanoyl (1r,2r)-2-methylcyclobutanecarboxylate
Molecular Mass 226.312 g·mol−1
Heat of Formation -675.0 ± 16.7 kJ·mol−1
Dipole Moment 4.54 ± 1.08 D
Volume 305.94 Å 3
Surface Area 292.11 Å 2
HOMO Energy -10.40 ± 0.55 eV
LUMO Energy 3.64 ± eV
Point Group Symmetry C1
InChIKey UOPCSRHNSGUFSQ-GHMZBOCLSA-N
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Elements H C O