Found 6 results

Search term: UIJXHKXIOCDSEB (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,6,6-~2~H_4_)piperidinecarboxylate | C10H15D4NO3

2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,6,6-2H4)piperidinecarboxylate

  • Molecular FormulaC10H15D4NO3
  • Average mass205.287 Da
  • Monoisotopic mass205.161606 Da
  • ChemSpider ID111313037

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(3R)-3-Hydroxy-1-(2,2,6,6-2H4)pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
1-Piperidine-2,2,6,6-d4-carboxylic acid, 3-hydroxy-, 1,1-dimethylethyl ester, (3R)- [ACD/Index Name]
2-Methyl-2-propanyl (3R)-3-hydroxy-1-(2,2,6,6-2H4)piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-(3R)-3-hydroxy-1-(2,2,6,6-2H4)piperidincarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 292.3±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.7±6.0 kJ/mol
Flash Point: 130.6±25.4 °C
Index of Refraction: 1.496
Molar Refractivity: 53.0±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 2.17
ACD/KOC (pH 5.5): 60.67
ACD/LogD (pH 7.4): 0.75
ACD/BCF (pH 7.4): 2.17
ACD/KOC (pH 7.4): 60.67
Polar Surface Area: 50 Å2
Polarizability: 21.0±0.5 10-24cm3
Surface Tension: 42.6±3.0 dyne/cm
Molar Volume: 181.7±3.0 cm3

Click to predict properties on the Chemicalize site


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