ChemSpider 2D Image | 3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1-(1-pyrrolidinyl)-1-heptanone | C19H35NO2

3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1-(1-pyrrolidinyl)-1-heptanone

  • Molecular FormulaC19H35NO2
  • Average mass309.487 Da
  • Monoisotopic mass309.266785 Da
  • ChemSpider ID21585616

More details:

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

1-Heptanone, 6-methyl-1-(1-pyrrolidinyl)-3-(tetrahydro-2,2-dimethyl-2H-pyran-4-yl)- [ACD/Index Name]
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1-(1-pyrrolidinyl)-1-heptanon [German] [ACD/IUPAC Name]
3-(2,2-Dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1-(1-pyrrolidinyl)-1-heptanone [ACD/IUPAC Name]
3-(2,2-Diméthyltétrahydro-2H-pyran-4-yl)-6-méthyl-1-(1-pyrrolidinyl)-1-heptanone [French] [ACD/IUPAC Name]
3-(2,2-dimethyloxan-4-yl)-6-methyl-1-(pyrrolidin-1-yl)heptan-1-one
3-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-6-methyl-1-(pyrrolidin-1-yl)heptan-1-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 426.6±18.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.1±3.0 kJ/mol
Flash Point: 211.8±21.2 °C
Index of Refraction: 1.479
Molar Refractivity: 90.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.12
ACD/LogD (pH 5.5): 4.56
ACD/BCF (pH 5.5): 1716.82
ACD/KOC (pH 5.5): 7194.70
ACD/LogD (pH 7.4): 4.56
ACD/BCF (pH 7.4): 1716.82
ACD/KOC (pH 7.4): 7194.71
Polar Surface Area: 30 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 34.1±3.0 dyne/cm
Molar Volume: 320.4±3.0 cm3

Click to predict properties on the Chemicalize site


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