ChemSpider 2D Image | (2s)-Tert-Butoxy[4-(4-Chlorophenyl)-6-(3,4-Dimethylphenyl)-2,5-Dimethylpyridin-3-Yl]ethanoic Acid | C27H30ClNO3

(2s)-Tert-Butoxy[4-(4-Chlorophenyl)-6-(3,4-Dimethylphenyl)-2,5-Dimethylpyridin-3-Yl]ethanoic Acid

  • Molecular FormulaC27H30ClNO3
  • Average mass451.985 Da
  • Monoisotopic mass451.191437 Da
  • ChemSpider ID34219811

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-[4-(4-Chlorophenyl)-6-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyridinyl][(2-methyl-2-propanyl)oxy]acetic acid [ACD/IUPAC Name]
(2S)-[4-(4-Chlorphenyl)-6-(3,4-dimethylphenyl)-2,5-dimethyl-3-pyridinyl][(2-methyl-2-propanyl)oxy]essigsäure [German] [ACD/IUPAC Name]
(2s)-Tert-Butoxy[4-(4-Chlorophenyl)-6-(3,4-Dimethylphenyl)-2,5-Dimethylpyridin-3-Yl]ethanoic Acid
3-Pyridineacetic acid, 4-(4-chlorophenyl)-α-(1,1-dimethylethoxy)-6-(3,4-dimethylphenyl)-2,5-dimethyl-, (αS)- [ACD/Index Name]
Acide (2S)-[4-(4-chlorophényl)-6-(3,4-diméthylphényl)-2,5-diméthyl-3-pyridinyl][(2-méthyl-2-propanyl)oxy]acétique [French] [ACD/IUPAC Name]
LF8

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

Density: 1.2±0.1 g/cm3
Boiling Point: 550.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 87.5±3.0 kJ/mol
Flash Point: 287.0±30.1 °C
Index of Refraction: 1.574
Molar Refractivity: 129.1±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 7.49
ACD/LogD (pH 5.5): 4.76
ACD/BCF (pH 5.5): 617.93
ACD/KOC (pH 5.5): 683.41
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 56.62
ACD/KOC (pH 7.4): 62.62
Polar Surface Area: 59 Å2
Polarizability: 51.2±0.5 10-24cm3
Surface Tension: 43.8±3.0 dyne/cm
Molar Volume: 390.9±3.0 cm3

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