(1S,3R,4S,6R,8R,10R)-4-Bromo-3-Ethyl-8-[(2Z)-2-Penten-4-Yn-1-Yl]-2,7-Dioxabicyclo[4.2.2]Dec-10-Yl Hydroperoxide

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Properties Simple | Detailed

Formula C15H21BrO4
IUPAC Name (1s,3r,4s,6r,8r,10r)-4-bromo-3-ethyl-10-hydroperoxy-8-[(z)-pent-2-en-4-ynyl]-2,7-dioxabicyclo[4.2.2]decane
Molecular Mass 345.229 g·mol−1
Heat of Formation -230.4 ± 16.7 kJ·mol−1
Dipole Moment 2.58 ± 1.08 D
Volume 363.52 Å 3
Surface Area 299.21 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
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InChIKey LKCIGYCRLQLMBC-NNNWXBAASA-N
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Elements H C O Br