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ChemSpider 2D Image | 1-(3,3-Dimethoxy-1-pyrrolidinyl)-5-hexen-1-one | C12H21NO3

1-(3,3-Dimethoxy-1-pyrrolidinyl)-5-hexen-1-one

  • Molecular FormulaC12H21NO3
  • Average mass227.300 Da
  • Monoisotopic mass227.152145 Da
  • ChemSpider ID30773998

More details:

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

1-(3,3-Dimethoxy-1-pyrrolidinyl)-5-hexen-1-on [German] [ACD/IUPAC Name]
1-(3,3-Dimethoxy-1-pyrrolidinyl)-5-hexen-1-one [ACD/IUPAC Name]
1-(3,3-Diméthoxy-1-pyrrolidinyl)-5-hexén-1-one [French] [ACD/IUPAC Name]
5-Hexen-1-one, 1-(3,3-dimethoxy-1-pyrrolidinyl)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 326.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 56.9±3.0 kJ/mol
Flash Point: 151.2±27.9 °C
Index of Refraction: 1.483
Molar Refractivity: 62.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.76
ACD/LogD (pH 5.5): 1.13
ACD/BCF (pH 5.5): 4.29
ACD/KOC (pH 5.5): 98.67
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 4.29
ACD/KOC (pH 7.4): 98.67
Polar Surface Area: 39 Å2
Polarizability: 24.9±0.5 10-24cm3
Surface Tension: 36.0±5.0 dyne/cm
Molar Volume: 220.0±5.0 cm3

Click to predict properties on the Chemicalize site


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