ChemSpider 2D Image | (1S,2S,4R)-4-Isopropyl-1-methyl-1,2,4-cyclohexanetriol | C10H20O3

(1S,2S,4R)-4-Isopropyl-1-methyl-1,2,4-cyclohexanetriol

  • Molecular FormulaC10H20O3
  • Average mass188.264 Da
  • Monoisotopic mass188.141251 Da
  • ChemSpider ID103883196

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S,2S,4R)-1-Methyl-4-(1-methylethyl)-1,2,4-cyclohexanetriol
(1S,2S,4R)-4-Isopropyl-1-methyl-1,2,4-cyclohexanetriol [ACD/IUPAC Name]
(1S,2S,4R)-4-Isopropyl-1-méthyl-1,2,4-cyclohexanetriol [French] [ACD/IUPAC Name]
(1S,2S,4R)-4-Isopropyl-1-methyl-1,2,4-cyclohexantriol [German] [ACD/IUPAC Name]
1,2,4-Cyclohexanetriol, 1-methyl-4-(1-methylethyl)-, (1S,2S,4R)- [ACD/Index Name]
465529-97-9 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 282.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 60.5±6.0 kJ/mol
Flash Point: 128.9±21.9 °C
Index of Refraction: 1.523
Molar Refractivity: 50.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 3
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.10
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.53
ACD/KOC (pH 5.5): 102.61
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.53
ACD/KOC (pH 7.4): 102.61
Polar Surface Area: 61 Å2
Polarizability: 20.1±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 166.4±3.0 cm3

Click to predict properties on the Chemicalize site


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