Bisbalol

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Properties Simple | Detailed

Formula C15H26O
IUPAC Name (2s)-6-methyl-2-[(1s)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Molecular Mass 222.366 g·mol−1
Heat of Formation -334.5 ± 16.7 kJ·mol−1
Dipole Moment 1.84 ± 1.08 D
Volume 321.87 Å 3
Surface Area 283.78 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy 1.27 ± eV
Point Group Symmetry C1
Synonyms
  • (-)-alpha-bisabolol
  • (2s)-6-methyl-2-[(1s)-4-methyl-1-cyclohex-3-enyl]hept-5-en-2-ol
  • lmpr01030028
CAS Number(s)
  • 23089-26-1
InChIKey RGZSQWQPBWRIAQ-CABCVRRESA-N
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DOI
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Elements H C O