(6S,8S,9R)-8-Bromo-9-Hydroxy-7,7-Dimethyl-11-Methylenespiro[5.5]Undec-1-En-3-One

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Properties Simple | Detailed

Formula C14H19BrO2
IUPAC Name (3r,4s,6s)-4-bromo-3-hydroxy-5,5-dimethyl-1-methylene-spiro[5.5]undec-10-en-9-one
Molecular Mass 299.203 g·mol−1
Heat of Formation -314.4 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 309.05 Å 3
Surface Area 250.25 Å 2
HOMO Energy -10.00 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3r,6s)-2-bromo-3-hydroxy-1,1-dimethyl-5-methylene-9-spiro[5.5]undec-10-enone
  • (2s,3r,6s)-2-bromo-3-hydroxy-1,1-dimethyl-5-methylene-spiro[5.5]undec-10-en-9-one
  • (2s,3r,6s)-2-bromo-3-hydroxy-1,1-dimethyl-5-methylidene-spiro[5.5]undec-10-en-9-one
  • ma'ilione
  • mailione
  • spiro[5.5]undec-1-en-3-one, 8-bromo-9-hydroxy-7,7-dimethyl-11-methylene-,(8r,9s)-rel-[partial]-
CAS Number(s)
  • 185213-74-5
InChIKey ZERRJERBGYWIKI-YRGRVCCFSA-N
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Elements H C O Br