(2S,3S,4Ar,6S,7S,8Ar)-3-Bromo-7-Chloro-2-Ethyl-6-[(2Z)-2-Penten-4-Yn-1-Yl]Octahydropyrano[3,2-B]Pyran

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Properties Simple | Detailed

Formula C15H20BrClO2
IUPAC Name (2s,3s,4ar,6s,7s,8ar)-3-bromo-7-chloro-2-ethyl-6-[(z)-pent-2-en-4-ynyl]-2,3,4,4a,6,7,8,8a-octahydropyrano[3,2-b]pyran
Molecular Mass 347.675 g·mol−1
Heat of Formation -211.4 ± 16.7 kJ·mol−1
Dipole Moment 5.33 ± 1.08 D
Volume 356.89 Å 3
Surface Area 285.35 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 0.45 ± eV
Point Group Symmetry C1
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InChIKey NVMRARRBFWEZAC-OXXOWAFVSA-N
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Elements H C O Br Cl