ChemSpider 2D Image | {[(1S,2R,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}acetic acid | C12H22O3

{[(1S,2R,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}acetic acid

  • Molecular FormulaC12H22O3
  • Average mass214.301 Da
  • Monoisotopic mass214.156891 Da
  • ChemSpider ID78432525

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

{[(1S,2R,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}acetic acid [ACD/IUPAC Name]
{[(1S,2R,5R)-2-Isopropyl-5-methylcyclohexyl]oxy}essigsäure [German] [ACD/IUPAC Name]
Acetic acid, 2-[[(1S,2R,5R)-5-methyl-2-(1-methylethyl)cyclohexyl]oxy]- [ACD/Index Name]
Acide {[(1S,2R,5R)-2-isopropyl-5-méthylcyclohexyl]oxy}acétique [French] [ACD/IUPAC 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: 293.5±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 58.6±6.0 kJ/mol
Flash Point: 122.5±13.9 °C
Index of Refraction: 1.469
Molar Refractivity: 58.9±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 2.96
ACD/LogD (pH 5.5): 1.19
ACD/BCF (pH 5.5): 1.54
ACD/KOC (pH 5.5): 12.56
ACD/LogD (pH 7.4): -0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 47 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 35.3±5.0 dyne/cm
Molar Volume: 211.5±5.0 cm3

Click to predict properties on the Chemicalize site


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