(2S,3R)-2-(2,2-Dimethylpropyl)-3-Isohexyl-Oxirane

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Properties Simple | Detailed

Formula C13H26O
IUPAC Name (2s,3r)-2-(2,2-dimethylpropyl)-3-isohexyl-oxirane
Molecular Mass 198.345 g·mol−1
Heat of Formation -316.8 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 300.89 Å 3
Surface Area 279.49 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 5.47 ± eV
Point Group Symmetry C1
InChIKey IVCOYGRZUBMPAK-NEPJUHHUSA-N
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Elements H C O