ChemSpider 2D Image | (2S,4S,5R)-5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane | C10H18O2

(2S,4S,5R)-5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane

  • Molecular FormulaC10H18O2
  • Average mass170.249 Da
  • Monoisotopic mass170.130676 Da
  • ChemSpider ID59651104

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(2S,4S,5R)-5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octan [German] [ACD/IUPAC Name]
(2S,4S,5R)-5-Ethyl-2,4-dimethyl-6,8-dioxabicyclo[3.2.1]octane [ACD/IUPAC Name]
(2S,4S,5R)-5-Éthyl-2,4-diméthyl-6,8-dioxabicyclo[3.2.1]octane [French] [ACD/IUPAC Name]
6,8-Dioxabicyclo[3.2.1]octane, 5-ethyl-2,4-dimethyl-, (2S,4S,5R)- [ACD/Index 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: 207.1±8.0 °C at 760 mmHg
Vapour Pressure: 0.3±0.4 mmHg at 25°C
Enthalpy of Vaporization: 42.5±3.0 kJ/mol
Flash Point: 74.9±12.3 °C
Index of Refraction: 1.449
Molar Refractivity: 47.6±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.25
ACD/LogD (pH 5.5): 2.22
ACD/BCF (pH 5.5): 28.46
ACD/KOC (pH 5.5): 382.45
ACD/LogD (pH 7.4): 2.22
ACD/BCF (pH 7.4): 28.46
ACD/KOC (pH 7.4): 382.45
Polar Surface Area: 18 Å2
Polarizability: 18.9±0.5 10-24cm3
Surface Tension: 32.7±3.0 dyne/cm
Molar Volume: 177.4±3.0 cm3

Click to predict properties on the Chemicalize site


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