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

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Properties Simple | Detailed

Formula C14H28O
IUPAC Name (2s,3r)-2-(3,3-dimethylbutyl)-3-isohexyl-oxirane
Molecular Mass 212.372 g·mol−1
Heat of Formation -336.8 ± 16.7 kJ·mol−1
Dipole Moment 2.01 ± 1.08 D
Volume 322.79 Å 3
Surface Area 300.41 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy 5.44 ± eV
Point Group Symmetry C1
InChIKey SUTHSWUYKFTSJM-OLZOCXBDSA-N
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Elements H C O