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

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Properties Simple | Detailed

Formula C14H28O
IUPAC Name (2r,3s)-2-(2,2-dimethylbutyl)-3-isohexyl-oxirane
Molecular Mass 212.372 g·mol−1
Heat of Formation -330.9 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 320.81 Å 3
Surface Area 294.94 Å 2
HOMO Energy -10.19 ± 0.55 eV
LUMO Energy 5.46 ± eV
Point Group Symmetry C1
InChIKey YBPZDDXDDKMLNJ-QWHCGFSZSA-N
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Elements H C O