5-Methylhexanoyl (1R,2S)-2-Methylcyclobutanecarboxylate
Properties
Property | Value |
---|---|
Formula | C13H22O3 |
IUPAC Name | 5-methylhexanoyl (1r,2s)-2-methylcyclobutanecarboxylate |
Molecular Mass | 226.312 g·mol−1 |
Heat of Formation | -675.5 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.80 ± 1.08 D |
Volume | 305.66 Å 3 |
Surface Area | 286.21 Å 2 |
HOMO Energy | -10.52 ± 0.55 eV |
LUMO Energy | 3.62 ± eV |
Point Group Symmetry | C1 |
InChIKey | UOPCSRHNSGUFSQ-WDEREUQCSA-N |
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Elements | H C O |