ChemSpider 2D Image | Methyl (3R,4S)-3-butyl-3-methoxy-6,6-dimethyl-1,2-dioxane-4-carboxylate | C13H24O5

Methyl (3R,4S)-3-butyl-3-methoxy-6,6-dimethyl-1,2-dioxane-4-carboxylate

  • Molecular FormulaC13H24O5
  • Average mass260.327 Da
  • Monoisotopic mass260.162384 Da
  • ChemSpider ID28430475

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R,4S)-3-Butyl-3-méthoxy-6,6-diméthyl-1,2-dioxane-4-carboxylate de méthyle [French] [ACD/IUPAC Name]
1,2-Dioxane-4-carboxylic acid, 3-butyl-3-methoxy-6,6-dimethyl-, methyl ester, (3R,4S)- [ACD/Index Name]
Methyl (3R,4S)-3-butyl-3-methoxy-6,6-dimethyl-1,2-dioxane-4-carboxylate [ACD/IUPAC Name]
Methyl-(3R,4S)-3-butyl-3-methoxy-6,6-dimethyl-1,2-dioxan-4-carboxylat [German] [ACD/IUPAC 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: 280.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 51.9±3.0 kJ/mol
Flash Point: 114.5±27.4 °C
Index of Refraction: 1.455
Molar Refractivity: 67.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.21
ACD/LogD (pH 5.5): 3.06
ACD/BCF (pH 5.5): 123.82
ACD/KOC (pH 5.5): 1095.57
ACD/LogD (pH 7.4): 3.06
ACD/BCF (pH 7.4): 123.82
ACD/KOC (pH 7.4): 1095.57
Polar Surface Area: 54 Å2
Polarizability: 26.7±0.5 10-24cm3
Surface Tension: 33.9±5.0 dyne/cm
Molar Volume: 247.9±5.0 cm3

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