ChemSpider 2D Image | Dimethyl 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C21H23NO6

Dimethyl 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC21H23NO6
  • Average mass385.410 Da
  • Monoisotopic mass385.152527 Da
  • ChemSpider ID30660347

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[2-(3,5-dimethoxyphenyl)ethynyl]-1,4-dihydro-2,6-dimethyl-, dimethyl ester [ACD/Index Name]
4-[(3,5-Diméthoxyphényl)éthynyl]-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl 4-[(3,5-dimethoxyphenyl)ethynyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Dimethyl-4-[(3,5-dimethoxyphenyl)ethinyl]-2,6-dimethyl-1,4-dihydro-3,5-pyridindicarboxylat [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: 541.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 81.9±3.0 kJ/mol
Flash Point: 281.0±30.1 °C
Index of Refraction: 1.568
Molar Refractivity: 101.9±0.4 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.75
ACD/BCF (pH 5.5): 416.74
ACD/KOC (pH 5.5): 2611.18
ACD/LogD (pH 7.4): 3.75
ACD/BCF (pH 7.4): 416.98
ACD/KOC (pH 7.4): 2612.64
Polar Surface Area: 83 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 311.5±5.0 cm3

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