(2S,6S)-2-Bromo-8-Chloro-1,1,9-Trimethyl-5-Methylenespiro[5.5]Undec-8-En-3-One

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Properties Simple | Detailed

Formula C15H20BrClO
IUPAC Name (4s,6s)-4-bromo-10-chloro-5,5,9-trimethyl-1-methylene-spiro[5.5]undec-9-en-3-one
Molecular Mass 331.676 g·mol−1
Heat of Formation -234.3 ± 16.7 kJ·mol−1
Dipole Moment 3.93 ± 1.08 D
Volume 342.34 Å 3
Surface Area 274.33 Å 2
HOMO Energy -9.46 ± 0.55 eV
LUMO Energy 0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,6s)-2-bromo-10-chloro-1,1,9-trimethyl-5-methylene-3-spiro[5.5]undec-9-enone
  • (2s,6s)-2-bromo-10-chloro-1,1,9-trimethyl-5-methylene-spiro[5.5]undec-9-en-3-one
  • (2s,6s)-2-bromo-10-chloro-1,1,9-trimethyl-5-methylidene-spiro[5.5]undec-9-en-3-one
  • (2s,6s)-2-bromo-10-chloro-1,1,9-trimethyl-5-methylidenespiro[5.5]undec-9-en-3-one
  • elatone
  • spiro(5.5)undec-8-en-3-one, 2-bromo-8-chloro-1,1,9-trimethyl-5-methylene-, cis-
  • wf 13
CAS Number(s)
  • 80508-99-2
InChIKey DRUSEXDWYQBNTJ-HIFRSBDPSA-N
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Elements H C O Br Cl