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Search term: FTOKCHSWIKIRPJ (Found by InChIKey (skeleton match))

ChemSpider 2D Image | Ethyl 1-{[1-(2-cyclooctyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-piperidinyl]carbonyl}-3-piperidinecarboxylate | C30H41N3O5

Ethyl 1-{[1-(2-cyclooctyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-piperidinyl]carbonyl}-3-piperidinecarboxylate

  • Molecular FormulaC30H41N3O5
  • Average mass523.664 Da
  • Monoisotopic mass523.304626 Da
  • ChemSpider ID22128379

More details:






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

1-{[1-(2-Cyclooctyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-pipéridinyl]carbonyl}-3-pipéridinecarboxylate d'éthyle [French] [ACD/IUPAC Name]
3-Piperidinecarboxylic acid, 1-[[1-(2-cyclooctyl-2,3-dihydro-1,3-dioxo-1H-isoindol-4-yl)-4-piperidinyl]carbonyl]-, ethyl ester [ACD/Index Name]
Ethyl 1-{[1-(2-cyclooctyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-piperidinyl]carbonyl}-3-piperidinecarboxylate [ACD/IUPAC Name]
Ethyl-1-{[1-(2-cyclooctyl-1,3-dioxo-2,3-dihydro-1H-isoindol-4-yl)-4-piperidinyl]carbonyl}-3-piperidincarboxylat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.2±0.1 g/cm3
Boiling Point: 688.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 100.9±3.0 kJ/mol
Flash Point: 370.0±31.5 °C
Index of Refraction: 1.576
Molar Refractivity: 142.2±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 2
ACD/LogP: 5.32
ACD/LogD (pH 5.5): 4.77
ACD/BCF (pH 5.5): 2467.41
ACD/KOC (pH 5.5): 9326.64
ACD/LogD (pH 7.4): 4.77
ACD/BCF (pH 7.4): 2468.13
ACD/KOC (pH 7.4): 9329.38
Polar Surface Area: 87 Å2
Polarizability: 56.4±0.5 10-24cm3
Surface Tension: 52.9±3.0 dyne/cm
Molar Volume: 429.4±3.0 cm3

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