ChemSpider 2D Image | Dimethyl {(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-2-nitropropyl}malonate | C14H23NO8

Dimethyl {(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-2-nitropropyl}malonate

  • Molecular FormulaC14H23NO8
  • Average mass333.334 Da
  • Monoisotopic mass333.142365 Da
  • ChemSpider ID24729344

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(1S)-1-[(4S)-2,2-Diméthyl-1,3-dioxolan-4-yl]-2-méthyl-2-nitropropyl}malonate de diméthyle [French] [ACD/IUPAC Name]
Dimethyl {(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-2-nitropropyl}malonate [ACD/IUPAC Name]
Dimethyl-{(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-methyl-2-nitropropyl}malonat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 413.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.6±3.0 kJ/mol
Flash Point: 154.5±30.7 °C
Index of Refraction: 1.465
Molar Refractivity: 77.5±0.3 cm3
#H bond acceptors: 9
#H bond donors: 0
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.09
ACD/LogD (pH 5.5): 2.06
ACD/BCF (pH 5.5): 21.56
ACD/KOC (pH 5.5): 313.49
ACD/LogD (pH 7.4): 2.06
ACD/BCF (pH 7.4): 21.56
ACD/KOC (pH 7.4): 313.47
Polar Surface Area: 117 Å2
Polarizability: 30.7±0.5 10-24cm3
Surface Tension: 38.4±3.0 dyne/cm
Molar Volume: 280.5±3.0 cm3

Click to predict properties on the Chemicalize site


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