ChemSpider 2D Image | (4S)-4-Isopropyl-3-[(2R)-2-methyl-2-(~2~H_3_)methyl-3-butenoyl]-1,3-oxazolidin-2-one | C12H16D3NO3

(4S)-4-Isopropyl-3-[(2R)-2-methyl-2-(2H3)methyl-3-butenoyl]-1,3-oxazolidin-2-one

  • Molecular FormulaC12H16D3NO3
  • Average mass228.303 Da
  • Monoisotopic mass228.155319 Da
  • ChemSpider ID17222621

  • defined stereocentres - 1 of 1 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(4S)-4-Isopropyl-3-[(2R)-2-methyl-2-(2H3)methyl-3-butenoyl]-1,3-oxazolidin-2-on [German] [ACD/IUPAC Name]
(4S)-4-Isopropyl-3-[(2R)-2-methyl-2-(2H3)methyl-3-butenoyl]-1,3-oxazolidin-2-one [ACD/IUPAC Name]
(4S)-4-Isopropyl-3-[(2R)-2-méthyl-2-(2H3)méthyl-3-butenoyl]-1,3-oxazolidin-2-one [French] [ACD/IUPAC Name]
2-Oxazolidinone, 4-(1-methylethyl)-3-[(2R)-2-methyl-2-(methyl-d3)-1-oxo-3-buten-1-yl]-, (4S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 329.1±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 57.2±3.0 kJ/mol
Flash Point: 152.8±22.1 °C
Index of Refraction: 1.482
Molar Refractivity: 60.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.28
ACD/LogD (pH 5.5): 1.75
ACD/BCF (pH 5.5): 12.68
ACD/KOC (pH 5.5): 214.35
ACD/LogD (pH 7.4): 1.75
ACD/BCF (pH 7.4): 12.68
ACD/KOC (pH 7.4): 214.35
Polar Surface Area: 47 Å2
Polarizability: 24.0±0.5 10-24cm3
Surface Tension: 36.2±3.0 dyne/cm
Molar Volume: 211.8±3.0 cm3

Click to predict properties on the Chemicalize site


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