ChemSpider 2D Image | 4-{[(3S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl]methoxy}benzoic acid | C18H25NO5

4-{[(3S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl]methoxy}benzoic acid

  • Molecular FormulaC18H25NO5
  • Average mass335.395 Da
  • Monoisotopic mass335.173279 Da
  • ChemSpider ID113058936

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 3-[(4-carboxyphenoxy)methyl]-, 1-(1,1-dimethylethyl) ester, (3S)- [ACD/Index Name]
4-{[(3S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl]methoxy}benzoesäure [German] [ACD/IUPAC Name]
4-{[(3S)-1-{[(2-Methyl-2-propanyl)oxy]carbonyl}-3-piperidinyl]methoxy}benzoic acid [ACD/IUPAC Name]
Acide 4-{[(3S)-1-{[(2-méthyl-2-propanyl)oxy]carbonyl}-3-pipéridinyl]méthoxy}benzoïque [French] [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: 474.7±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±3.0 kJ/mol
Flash Point: 240.9±20.4 °C
Index of Refraction: 1.535
Molar Refractivity: 89.3±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.41
ACD/LogD (pH 5.5): 2.76
ACD/BCF (pH 5.5): 40.83
ACD/KOC (pH 5.5): 245.98
ACD/LogD (pH 7.4): 1.10
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 5.39
Polar Surface Area: 76 Å2
Polarizability: 35.4±0.5 10-24cm3
Surface Tension: 44.8±3.0 dyne/cm
Molar Volume: 286.7±3.0 cm3

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