8-(3-Heptyl-2-Oxiranyl)-1-Octene-4,6-Diyn-3-Yl Acetate

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Properties Simple | Detailed

Formula C19H26O3
IUPAC Name [(1s)-6-[(2s,3s)-3-heptyloxiran-2-yl]-1-vinyl-hexa-2,4-diynyl] acetate
Molecular Mass 302.408 g·mol−1
Heat of Formation -108.3 ± 16.7 kJ·mol−1
Dipole Moment 2.44 ± 1.08 D
Volume 423.94 Å 3
Surface Area 345.66 Å 2
HOMO Energy -9.87 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey TZXIQFAHBPZOMM-FHWLQOOXSA-N
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Elements H C O