(2S,3R)-2-(2,2-Dimethylbutyl)-3-Isopentyl-Oxirane
Properties
Property | Value |
---|---|
Formula | C13H26O |
IUPAC Name | (2s,3r)-2-(2,2-dimethylbutyl)-3-isopentyl-oxirane |
Molecular Mass | 198.345 g·mol−1 |
Heat of Formation | -309.9 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.91 ± 1.08 D |
Volume | 299.28 Å 3 |
Surface Area | 274.87 Å 2 |
HOMO Energy | -10.18 ± 0.55 eV |
LUMO Energy | 5.47 ± eV |
Point Group Symmetry | C1 |
InChIKey | XXCDHGOGWWLFNA-NEPJUHHUSA-N |
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Elements | H C O |