ChemSpider 2D Image | 4a-Ethyl 6-(2-methyl-2-propanyl) (4aR,8aR)-tetrahydro-2H-pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylate | C16H27NO5

4a-Ethyl 6-(2-methyl-2-propanyl) (4aR,8aR)-tetrahydro-2H-pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylate

  • Molecular FormulaC16H27NO5
  • Average mass313.389 Da
  • Monoisotopic mass313.188934 Da
  • ChemSpider ID48064201

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(4aR,8aR)-Tétrahydro-2H-pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylate de 4a-éthyle et de 6-(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
2H-Pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylic acid, tetrahydro-, 6-(1,1-dimethylethyl) 4a-ethyl ester, (4aR,8aR)- [ACD/Index Name]
4a-Ethyl 6-(2-methyl-2-propanyl) (4aR,8aR)-tetrahydro-2H-pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylate [ACD/IUPAC Name]
4a-Ethyl-6-(2-methyl-2-propanyl)-(4aR,8aR)-tetrahydro-2H-pyrano[3,2-c]pyridin-4a,6(5H,7H)-dicarboxylat [German] [ACD/IUPAC Name]
(4aR,8aR)-6-tert-butyl 4a-ethyl hexahydro-2H-pyrano[3,2-c]pyridine-4a,6(7H)-dicarboxylate
1445951-17-6 [RN]
6-(tert-Butyl) 4a-ethyl cis-tetrahydro-2H-pyrano[3,2-c]pyridine-4a,6(5H,7H)-dicarboxylate
6-tert-butyl 4a-ethyl (4aR,8aR)-octahydro-2H-pyrano[3,2-c]pyridine-4a,6-dicarboxylate
Cis-tert-butyl 4a-ethyl hexahydro-2h-pyrano[3,2-c]pyridine-4a,6(7H)-dicarboxylate
cis-tert-butyl 4a-ethyl hexahydro-2h-pyrano[3,2-c]pyridine-4a,6(7h)-dicarboxylate(wx111694)

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 388.7±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.9 mmHg at 25°C
    Enthalpy of Vaporization: 63.8±3.0 kJ/mol
    Flash Point: 188.9±27.9 °C
    Index of Refraction: 1.493
    Molar Refractivity: 80.4±0.3 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 0
    ACD/LogP: 2.36
    ACD/LogD (pH 5.5): 3.01
    ACD/BCF (pH 5.5): 113.99
    ACD/KOC (pH 5.5): 1032.56
    ACD/LogD (pH 7.4): 3.01
    ACD/BCF (pH 7.4): 113.99
    ACD/KOC (pH 7.4): 1032.56
    Polar Surface Area: 65 Å2
    Polarizability: 31.9±0.5 10-24cm3
    Surface Tension: 41.1±3.0 dyne/cm
    Molar Volume: 276.6±3.0 cm3

    Click to predict properties on the Chemicalize site


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