(2R,3S)-2-(1,1-Dimethylpropyl)-3-Isohexyl-Oxirane

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Properties Simple | Detailed

Formula C13H26O
IUPAC Name (2r,3s)-2-(1,1-dimethylpropyl)-3-isohexyl-oxirane
Molecular Mass 198.345 g·mol−1
Heat of Formation -304.6 ± 16.7 kJ·mol−1
Dipole Moment 1.88 ± 1.08 D
Volume 297.54 Å 3
Surface Area 272.02 Å 2
HOMO Energy -10.10 ± 0.55 eV
LUMO Energy 2.15 ± eV
Point Group Symmetry C1
InChIKey IMVROQCDSOSCEW-RYUDHWBXSA-N
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Elements H C O