ChemSpider 2D Image | (2S,3S)-5-(Chloromethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane | C9H17ClO4

(2S,3S)-5-(Chloromethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane

  • Molecular FormulaC9H17ClO4
  • Average mass224.682 Da
  • Monoisotopic mass224.081543 Da
  • ChemSpider ID29335403

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(2S,3S)-5-(Chlormethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxan [German] [ACD/IUPAC Name]
(2S,3S)-5-(Chloromethyl)-2,3-dimethoxy-2,3-dimethyl-1,4-dioxane [ACD/IUPAC Name]
(2S,3S)-5-(Chlorométhyl)-2,3-diméthoxy-2,3-diméthyl-1,4-dioxane [French] [ACD/IUPAC Name]
1,4-Dioxane, 5-(chloromethyl)-2,3-dimethoxy-2,3-dimethyl-, (2S,3S)- [ACD/Index Name]
(2S,3S)-5-Chloromethyl-2,3-dimethoxy-2,3-dimethyl-[1,4]dioxane

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

Density: 1.1±0.1 g/cm3
Boiling Point: 264.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.3±3.0 kJ/mol
Flash Point: 91.7±27.4 °C
Index of Refraction: 1.455
Molar Refractivity: 53.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.95
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.13
ACD/KOC (pH 5.5): 156.02
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.13
ACD/KOC (pH 7.4): 156.02
Polar Surface Area: 37 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 32.9±5.0 dyne/cm
Molar Volume: 197.0±5.0 cm3

Click to predict properties on the Chemicalize site


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