ChemSpider 2D Image | cis-2-Ethyl-5-methyl-5-[(2-methylbenzyl)oxy]-1,3-dioxane | C15H22O3

cis-2-Ethyl-5-methyl-5-[(2-methylbenzyl)oxy]-1,3-dioxane

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID64883343

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Dioxane, 2-ethyl-5-methyl-5-[(2-methylphenyl)methoxy]-, cis- [ACD/Index Name]
cis-2-Ethyl-5-methyl-5-[(2-methylbenzyl)oxy]-1,3-dioxan [German] [ACD/IUPAC Name]
cis-2-Ethyl-5-methyl-5-[(2-methylbenzyl)oxy]-1,3-dioxane [ACD/IUPAC Name]
cis-2-Éthyl-5-méthyl-5-[(2-méthylbenzyl)oxy]-1,3-dioxane [French] [ACD/IUPAC 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: 334.8±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.5±3.0 kJ/mol
Flash Point: 112.4±23.8 °C
Index of Refraction: 1.513
Molar Refractivity: 71.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.84
ACD/LogD (pH 5.5): 3.54
ACD/BCF (pH 5.5): 290.32
ACD/KOC (pH 5.5): 2016.19
ACD/LogD (pH 7.4): 3.54
ACD/BCF (pH 7.4): 290.32
ACD/KOC (pH 7.4): 2016.19
Polar Surface Area: 28 Å2
Polarizability: 28.4±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 238.3±5.0 cm3

Click to predict properties on the Chemicalize site


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