ChemSpider 2D Image | 1-(3,3-Dimethoxy-1-pyrrolidinyl)-6-hepten-1-one | C13H23NO3

1-(3,3-Dimethoxy-1-pyrrolidinyl)-6-hepten-1-one

  • Molecular FormulaC13H23NO3
  • Average mass241.327 Da
  • Monoisotopic mass241.167801 Da
  • ChemSpider ID30774001

More details:






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

1-(3,3-Dimethoxy-1-pyrrolidinyl)-6-hepten-1-on [German] [ACD/IUPAC Name]
1-(3,3-Dimethoxy-1-pyrrolidinyl)-6-hepten-1-one [ACD/IUPAC Name]
1-(3,3-Diméthoxy-1-pyrrolidinyl)-6-heptén-1-one [French] [ACD/IUPAC Name]
6-Hepten-1-one, 1-(3,3-dimethoxy-1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 352.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 59.7±3.0 kJ/mol
Flash Point: 166.8±27.9 °C
Index of Refraction: 1.483
Molar Refractivity: 67.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.24
ACD/LogD (pH 5.5): 1.72
ACD/BCF (pH 5.5): 12.04
ACD/KOC (pH 5.5): 206.57
ACD/LogD (pH 7.4): 1.72
ACD/BCF (pH 7.4): 12.04
ACD/KOC (pH 7.4): 206.57
Polar Surface Area: 39 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 36.0±5.0 dyne/cm
Molar Volume: 236.3±5.0 cm3

Click to predict properties on the Chemicalize site






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