ChemSpider 2D Image | Diethyl 4-{4-[(cyclohexyloxy)methyl]-3-fluorophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate | C26H34FNO5

Diethyl 4-{4-[(cyclohexyloxy)methyl]-3-fluorophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate

  • Molecular FormulaC26H34FNO5
  • Average mass459.550 Da
  • Monoisotopic mass459.242096 Da
  • ChemSpider ID102540198

More details:

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

3,5-Pyridinedicarboxylic acid, 4-[4-[(cyclohexyloxy)methyl]-3-fluorophenyl]-1,4-dihydro-2,6-dimethyl-, diethyl ester [ACD/Index Name]
4-{4-[(Cyclohexyloxy)méthyl]-3-fluorophényl}-2,6-diméthyl-1,4-dihydro-3,5-pyridinedicarboxylate de diéthyle [French] [ACD/IUPAC Name]
Diethyl 4-{4-[(cyclohexyloxy)methyl]-3-fluorophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate [ACD/IUPAC Name]
Diethyl-4-{4-[(cyclohexyloxy)methyl]-3-fluorphenyl}-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: 554.0±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 83.5±3.0 kJ/mol
Flash Point: 288.8±30.1 °C
Index of Refraction: 1.546
Molar Refractivity: 123.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 10
#Rule of 5 Violations: 1
ACD/LogP: 6.15
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 9978.66
ACD/KOC (pH 5.5): 25338.67
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10005.93
ACD/KOC (pH 7.4): 25407.93
Polar Surface Area: 74 Å2
Polarizability: 48.9±0.5 10-24cm3
Surface Tension: 44.7±5.0 dyne/cm
Molar Volume: 389.6±5.0 cm3

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