(1R,3R,5Z,6S,7R,9R)-5-(1-Bromopropylidene)-9-[(1S,2Z)-1-Chloro-2-Penten-4-Yn-1-Yl]-4,8-Dioxatricyclo[4.2.1.0~3,7~]Nonane

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Properties Simple | Detailed

Formula C15H16BrClO2
IUPAC Name (1r,3r,5z,6s,7r,9r)-5-(1-bromopropylidene)-9-[(1s,2z)-1-chloro-2-penten-4-yn-1-yl]-4,8-dioxatricyclo[4.2.1.0 3,7 ]nonane
Molecular Mass 343.643 g·mol−1
Heat of Formation -51.5 ± 16.7 kJ·mol−1
Dipole Moment 2.22 ± 1.08 D
Volume 336.18 Å 3
Surface Area 268.17 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-methanofuro[3,2-b]furan, 5-(1-bromopropylidene)-7-[(1s,2z)-1-chloro-2-penten-4-ynyl]hexahydro-, (5z,6s,7r)-
  • rel-(5z,6r,7s)-5-(1-bromopropylidene)-7-[(1r,2z)-1-chloropent-2-en-4-yn-1-yl]hexahydro-2,6-methanofuro[3,2-b]furan
InChIKey AYFFHUILZXJDLN-MRLJGCBVSA-N
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Elements H C O Br Cl