(1S,5R)-2-(2-Hydroxyethyl)-5-(2-Hydroxy-2-Propanyl)-2-Cyclohexen-1-Ol

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Properties Simple | Detailed

Formula C11H20O3
IUPAC Name (1s,5r)-2-(2-hydroxyethyl)-5-(1-hydroxy-1-methyl-ethyl)cyclohex-2-en-1-ol
Molecular Mass 200.275 g·mol−1
Heat of Formation -673.8 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 265.63 Å 3
Surface Area 239.22 Å 2
HOMO Energy -9.78 ± 0.55 eV
LUMO Energy 0.64 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,5r)-2-(2-hydroxyethyl)-5-(1-hydroxy-1-methyl-ethyl)cyclohex-2-en-1-ol
  • (1s,5r)-2-(2-hydroxyethyl)-5-(1-hydroxy-1-methylethyl)-1-cyclohex-2-enol
  • (1s,5r)-2-(2-hydroxyethyl)-5-(2-hydroxypropan-2-yl)cyclohex-2-en-1-ol
  • 1-cyclohexene-1-ethanol, 6-hydroxy-4-(1-hydroxy-1-methylethyl)-, (4r-trans)-
  • 6-hydroxy-4-(1-hydroxy-1-methylethyl)-1-cyclohexene-1-ethanol
  • co 1408
  • co-1408
CAS Number(s)
  • 127913-03-5
InChIKey VSDYCFMYAPMHAC-ZJUUUORDSA-N
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