ChemSpider 2D Image | Bis[2-(1-methyl-4-piperidinyl)ethyl] 2,4-bis(4-hydroxy-3-methoxyphenyl)-1,3-cyclobutanedicarboxylate | C36H50N2O8

Bis[2-(1-methyl-4-piperidinyl)ethyl] 2,4-bis(4-hydroxy-3-methoxyphenyl)-1,3-cyclobutanedicarboxylate

  • Molecular FormulaC36H50N2O8
  • Average mass638.791 Da
  • Monoisotopic mass638.356689 Da
  • ChemSpider ID58927473

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

1,3-Cyclobutanedicarboxylic acid, 2,4-bis(4-hydroxy-3-methoxyphenyl)-, bis[2-(1-methyl-4-piperidinyl)ethyl] ester [ACD/Index Name]
2,4-Bis(4-hydroxy-3-méthoxyphényl)-1,3-cyclobutanedicarboxylate de bis[2-(1-méthyl-4-pipéridinyl)éthyle] [French] [ACD/IUPAC Name]
Bis[2-(1-methyl-4-piperidinyl)ethyl] 2,4-bis(4-hydroxy-3-methoxyphenyl)-1,3-cyclobutanedicarboxylate [ACD/IUPAC Name]
Bis[2-(1-methyl-4-piperidinyl)ethyl]-2,4-bis(4-hydroxy-3-methoxyphenyl)-1,3-cyclobutandicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 739.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.7±3.0 kJ/mol
Flash Point: 401.1±32.9 °C
Index of Refraction: 1.559
Molar Refractivity: 174.3±0.3 cm3
#H bond acceptors: 10
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 0.38
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.00
ACD/LogD (pH 7.4): 0.85
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.52
Polar Surface Area: 118 Å2
Polarizability: 69.1±0.5 10-24cm3
Surface Tension: 46.6±3.0 dyne/cm
Molar Volume: 539.5±3.0 cm3

Click to predict properties on the Chemicalize site


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