ChemSpider 2D Image | 8-Hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-5-octynoate | C18H24NO4

8-Hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-5-octynoate

  • Molecular FormulaC18H24NO4
  • Average mass318.388 Da
  • Monoisotopic mass318.171082 Da
  • ChemSpider ID34890932

  • Charge - Charge

More details:

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

5-Octynoic acid, 8-hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-, ion(1-) [ACD/Index Name]
8-Hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-5-octinoat [German] [ACD/IUPAC Name]
8-Hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-5-octynoate [ACD/IUPAC Name]
8-Hydroxy-8-[2-(pentyloxy)-3-pyridinyl]-5-octynoate [French] [ACD/IUPAC Name]
CHEMBL199172

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

Density:
Boiling Point: 536.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 85.6±3.0 kJ/mol
Flash Point: 278.2±30.1 °C
Index of Refraction:
Molar Refractivity:
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.19
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 12.74
ACD/KOC (pH 5.5): 115.40
ACD/LogD (pH 7.4): 0.27
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.87
Polar Surface Area: 82 Å2
Polarizability:
Surface Tension:
Molar Volume:

Click to predict properties on the Chemicalize site


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