ChemSpider 2D Image | N,N-Diethyl-2-[(2R,4R)-2-isopropyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]acetamide | C19H37NO2

N,N-Diethyl-2-[(2R,4R)-2-isopropyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]acetamide

  • Molecular FormulaC19H37NO2
  • Average mass311.503 Da
  • Monoisotopic mass311.282440 Da
  • ChemSpider ID62487055

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2H-Pyran-4-acetamide, N,N-diethyltetrahydro-4-(3-methylbutyl)-2-(1-methylethyl)-, (2R,4R)- [ACD/Index Name]
N,N-Diethyl-2-[(2R,4R)-2-isopropyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]acetamid [German] [ACD/IUPAC Name]
N,N-Diethyl-2-[(2R,4R)-2-isopropyl-4-(3-methylbutyl)tetrahydro-2H-pyran-4-yl]acetamide [ACD/IUPAC Name]
N,N-Diéthyl-2-[(2R,4R)-2-isopropyl-4-(3-méthylbutyl)tétrahydro-2H-pyran-4-yl]acétamide [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: 403.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 65.5±3.0 kJ/mol
Flash Point: 197.9±21.2 °C
Index of Refraction: 1.455
Molar Refractivity: 93.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.61
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2185.10
ACD/KOC (pH 5.5): 8550.48
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2185.11
ACD/KOC (pH 7.4): 8550.49
Polar Surface Area: 30 Å2
Polarizability: 37.0±0.5 10-24cm3
Surface Tension: 30.0±3.0 dyne/cm
Molar Volume: 343.5±3.0 cm3

Click to predict properties on the Chemicalize site


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