(1R,2R,4R)-4-(2-Hydroxy-2-Propanyl)-1-Methyl-1,2-Cyclohexanediol

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Properties Simple | Detailed

Formula C10H20O3
IUPAC Name (1r,2r,4s)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexane-1,2-diol
Molecular Mass 188.264 g·mol−1
Heat of Formation -759.5 ± 16.7 kJ·mol−1
Dipole Moment 1.73 ± 1.08 D
Volume 247.11 Å 3
Surface Area 218.08 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 2.42 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,2r,4s)-4-(1-hydroxy-1-methyl-ethyl)-1-methyl-cyclohexane-1,2-diol
  • (1r,2r,4s)-4-(1-hydroxy-1-methylethyl)-1-methylcyclohexane-1,2-diol
  • (1r,2r,4s)-4-(2-hydroxypropan-2-yl)-1-methyl-cyclohexane-1,2-diol
  • (1r,2r,4s)-4-(2-hydroxypropan-2-yl)-1-methylcyclohexane-1,2-diol
InChIKey KANCZQSRUGHECB-QXFUBDJGSA-N
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