ChemSpider 2D Image | 6-(3,3-Dimethoxy-1-pyrrolidinyl)-6-oxohexanal | C12H21NO4

6-(3,3-Dimethoxy-1-pyrrolidinyl)-6-oxohexanal

  • Molecular FormulaC12H21NO4
  • Average mass243.299 Da
  • Monoisotopic mass243.147064 Da
  • ChemSpider ID30774002

More details:






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

1-Pyrrolidinehexanal, 3,3-dimethoxy-ε-oxo- [ACD/Index Name]
6-(3,3-Dimethoxy-1-pyrrolidinyl)-6-oxohexanal [German] [ACD/IUPAC Name]
6-(3,3-Dimethoxy-1-pyrrolidinyl)-6-oxohexanal [ACD/IUPAC Name]
6-(3,3-Diméthoxy-1-pyrrolidinyl)-6-oxohexanal [French] [ACD/IUPAC Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 376.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.2±27.9 °C
Index of Refraction: 1.483
Molar Refractivity: 63.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: -0.52
ACD/LogD (pH 5.5): 0.24
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 32.05
ACD/LogD (pH 7.4): 0.24
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 32.05
Polar Surface Area: 56 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 40.2±5.0 dyne/cm
Molar Volume: 221.8±5.0 cm3

Click to predict properties on the Chemicalize site






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