ChemSpider 2D Image | [(1R,3S,5r)-5-(Methoxymethyl)-1,3-cyclohexanediyl]dimethanol | C10H20O3

[(1R,3S,5r)-5-(Methoxymethyl)-1,3-cyclohexanediyl]dimethanol

  • Molecular FormulaC10H20O3
  • Average mass188.264 Da
  • Monoisotopic mass188.141251 Da
  • ChemSpider ID75168525

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(1R,3S,5r)-5-(Methoxymethyl)-1,3-cyclohexandiyl]dimethanol [German] [ACD/IUPAC Name]
[(1R,3S,5r)-5-(Methoxymethyl)-1,3-cyclohexanediyl]dimethanol [ACD/IUPAC Name]
[(1R,3S,5r)-5-(Méthoxyméthyl)-1,3-cyclohexanediyl]diméthanol [French] [ACD/IUPAC Name]
1,3-Cyclohexanedimethanol, 5-(methoxymethyl)-, (1α,3α,5β)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 295.9±5.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 62.1±6.0 kJ/mol
Flash Point: 132.8±17.6 °C
Index of Refraction: 1.458
Molar Refractivity: 51.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 2.44
ACD/KOC (pH 5.5): 65.97
ACD/LogD (pH 7.4): 0.81
ACD/BCF (pH 7.4): 2.44
ACD/KOC (pH 7.4): 65.97
Polar Surface Area: 50 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 38.2±3.0 dyne/cm
Molar Volume: 187.5±3.0 cm3

Click to predict properties on the Chemicalize site


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