ChemSpider 2D Image | Methyl (5R)-3-hydroxy-1-adamantanecarboxylate | C12H18O3

Methyl (5R)-3-hydroxy-1-adamantanecarboxylate

  • Molecular FormulaC12H18O3
  • Average mass210.270 Da
  • Monoisotopic mass210.125595 Da
  • ChemSpider ID108539348

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(5R)-3-Hydroxy-1-adamantanecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl (5R)-3-hydroxy-1-adamantanecarboxylate [ACD/IUPAC Name]
Methyl-(5R)-3-hydroxy-1-adamantancarboxylat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-carboxylic acid, 3-hydroxy-, methyl ester, (5R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 295.3±23.0 °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: 120.0±15.4 °C
Index of Refraction: 1.582
Molar Refractivity: 54.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.30
ACD/LogD (pH 5.5): 1.77
ACD/BCF (pH 5.5): 13.01
ACD/KOC (pH 5.5): 218.40
ACD/LogD (pH 7.4): 1.77
ACD/BCF (pH 7.4): 13.01
ACD/KOC (pH 7.4): 218.40
Polar Surface Area: 47 Å2
Polarizability: 21.6±0.5 10-24cm3
Surface Tension: 58.9±3.0 dyne/cm
Molar Volume: 163.6±3.0 cm3

Click to predict properties on the Chemicalize site


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