ChemSpider 2D Image | 4-Hydroxy-3-(3-methyl-2-buten-1-yl)-6-pentadecyl-2H-pyran-2-one | C25H42O3

4-Hydroxy-3-(3-methyl-2-buten-1-yl)-6-pentadecyl-2H-pyran-2-one

  • Molecular FormulaC25H42O3
  • Average mass390.599 Da
  • Monoisotopic mass390.313385 Da
  • ChemSpider ID57512443

More details:






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

2H-Pyran-2-one, 4-hydroxy-3-(3-methyl-2-buten-1-yl)-6-pentadecyl- [ACD/Index Name]
4-Hydroxy-3-(3-methyl-2-buten-1-yl)-6-pentadecyl-2H-pyran-2-on [German] [ACD/IUPAC Name]
4-Hydroxy-3-(3-methyl-2-buten-1-yl)-6-pentadecyl-2H-pyran-2-one [ACD/IUPAC Name]
4-Hydroxy-3-(3-méthyl-2-butén-1-yl)-6-pentadécyl-2H-pyran-2-one [French] [ACD/IUPAC Name]
4-Hydroxy-3-(3-methylbut-2-en-1-yl)-6-pentadecyl-2H-pyran-2-one
4-HYDROXY-3-(3-METHYLBUT-2-EN-1-YL)-6-PENTADECYLPYRAN-2-ONE
83725-44-4 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point: 499.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.9 mmHg at 25°C
Enthalpy of Vaporization: 88.4±6.0 kJ/mol
Flash Point: 186.4±21.5 °C
Index of Refraction: 1.497
Molar Refractivity: 118.3±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 1
ACD/LogP: 10.05
ACD/LogD (pH 5.5): 8.87
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1258170.63
ACD/LogD (pH 7.4): 7.36
ACD/BCF (pH 7.4): 89528.55
ACD/KOC (pH 7.4): 39384.47
Polar Surface Area: 47 Å2
Polarizability: 46.9±0.5 10-24cm3
Surface Tension: 36.3±3.0 dyne/cm
Molar Volume: 404.2±3.0 cm3

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