(2R,3R,5S,6S)-3-Bromo-2-[(2Z)-3-Bromo-2-Penten-1-Yl]-5-Chloro-6-[(2E)-2-Penten-4-Yn-1-Yl]Tetrahydro-2H-Pyran

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Properties Simple | Detailed

Formula C15H19Br2ClO
IUPAC Name (2r,3r,5s,6s)-3-bromo-2-[(z)-3-bromopent-2-enyl]-5-chloro-6-[(e)-pent-2-en-4-ynyl]tetrahydropyran
Molecular Mass 410.572 g·mol−1
Heat of Formation -1.7 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 386.23 Å 3
Surface Area 310.9 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 3.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2r,3r,5s,6s)-3-bromo-2-[(z)-3-bromopent-2-enyl]-5-chloro-6-[(e)-pent-2-en-4-ynyl]tetrahydropyran
  • 2h-pyran, 3-bromo-2-(3-bromo-2-pentenyl)-5-chlorotetrahydro-6-(2-penten-4-ynyl)-, (2r-(2alpha(e),3alpha,5alpha,6alpha(z)))-
  • 3-bromo-2-(3-bromo-2-pentenyl)-5-chlorotetrahydro-6-(2-penten-4-ynyl)-2h-pyran
  • dactylyne
CAS Number(s)
  • 55306-12-2
InChIKey NZHWXNQBZKBACG-MJYPMMBJSA-N
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Elements H C O Br Cl