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Search term: JTEPOCODFJKCCN (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 5-Methyl-3-(2-methylbutyl)-6-(2-pentanyl)-2H-pyran-2-one | C16H26O2

5-Methyl-3-(2-methylbutyl)-6-(2-pentanyl)-2H-pyran-2-one

  • Molecular FormulaC16H26O2
  • Average mass250.376 Da
  • Monoisotopic mass250.193283 Da
  • ChemSpider ID71048746

More details:

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

2H-Pyran-2-one, 5-methyl-6-(1-methylbutyl)-3-(2-methylbutyl)- [ACD/Index Name]
5-Methyl-3-(2-methylbutyl)-6-(2-pentanyl)-2H-pyran-2-on [German] [ACD/IUPAC Name]
5-Methyl-3-(2-methylbutyl)-6-(2-pentanyl)-2H-pyran-2-one [ACD/IUPAC Name]
5-Méthyl-3-(2-méthylbutyl)-6-(2-pentanyl)-2H-pyran-2-one [French] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 359.2±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.5±3.0 kJ/mol
Flash Point: 150.1±16.7 °C
Index of Refraction: 1.474
Molar Refractivity: 75.0±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.45
ACD/LogD (pH 5.5): 4.88
ACD/BCF (pH 5.5): 3010.88
ACD/KOC (pH 5.5): 10755.83
ACD/LogD (pH 7.4): 4.88
ACD/BCF (pH 7.4): 3010.88
ACD/KOC (pH 7.4): 10755.83
Polar Surface Area: 26 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 30.3±3.0 dyne/cm
Molar Volume: 267.1±3.0 cm3

Click to predict properties on the Chemicalize site


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