(1S,4R,5S)-5-Isopropenyl-6-Methylene-2-Cyclohexene-1,4-Diol

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Properties Simple | Detailed

Formula C10H14O2
IUPAC Name (1s,4r,5s)-5-isopropenyl-6-methylene-cyclohex-2-ene-1,4-diol
Molecular Mass 166.217 g·mol−1
Heat of Formation -253.1 ± 16.7 kJ·mol−1
Dipole Moment 1.23 ± 1.08 D
Volume 215.05 Å 3
Surface Area 194.07 Å 2
HOMO Energy -10.13 ± 0.55 eV
LUMO Energy 0.09 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,4s,6s)-5-methylidene-6-prop-1-en-2-yl-cyclohex-2-ene-1,4-diol
  • (1r,4s,6s)-5-methylidene-6-prop-1-en-2-ylcyclohex-2-ene-1,4-diol
  • (1s,4r,5s)-5-isopropenyl-6-methylene-cyclohex-2-ene-1,4-diol
  • (1s,4r,5s)-5-isopropenyl-6-methylenecyclohex-2-ene-1,4-diol
  • 2-cyclohexene-1,4-diol, 5-methylene-6-(1-methylethenyl)-, (1alpha,4alpha,6alpha)-(+)-
  • piquerol a
  • piquerol b
CAS Number(s)
  • 32151-10-3
InChIKey NEMBFIOCFSUBLI-AEJSXWLSSA-N
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