(4R,6E)-6-[(3S,4S)-4-Bromo-3-Chloro-4-Methylcyclohexylidene]-2-Methyl-2-Hepten-4-Ol

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Properties Simple | Detailed

Formula C15H24BrClO
IUPAC Name (4r,6e)-6-[(3s,4s)-4-bromo-3-chloro-4-methyl-cyclohexylidene]-2-methyl-hept-2-en-4-ol
Molecular Mass 335.707 g·mol−1
Heat of Formation -392.9 ± 16.7 kJ·mol−1
Dipole Moment 1.09 ± 1.08 D
Volume 367.77 Å 3
Surface Area 289.06 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -0.14 ± eV
Point Group Symmetry C1
Synonyms
  • (4r,6e)-6-[(3s,4s)-4-bromo-3-chloro-4-methyl-cyclohexylidene]-2-methyl-hept-2-en-4-ol
  • (4r,6e)-6-[(3s,4s)-4-bromo-3-chloro-4-methylcyclohexylidene]-2-methylhept-2-en-4-ol
  • 2-hepten-4-ol, 6-(4-bromo-3-chloro-4-methylcyclohexylidene)-2-methyl-, (3s-(1e(r*),3alpha,4beta))-
  • peurtitol b
CAS Number(s)
  • 119736-69-5
InChIKey GXPMZNAWQXOPPN-TYJHLQBPSA-N
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Elements H C O Br Cl