ChemSpider 2D Image | (2S,4R)-5,8,8-Trimethyl-3-oxatricyclo[3.2.1.0~2,4~]octan-6-one | C10H14O2

(2S,4R)-5,8,8-Trimethyl-3-oxatricyclo[3.2.1.02,4]octan-6-one

  • Molecular FormulaC10H14O2
  • Average mass166.217 Da
  • Monoisotopic mass166.099380 Da
  • ChemSpider ID74178671

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(2S,4R)-5,8,8-Trimethyl-3-oxatricyclo[3.2.1.02,4]octan-6-on [German] [ACD/IUPAC Name]
(2S,4R)-5,8,8-Trimethyl-3-oxatricyclo[3.2.1.02,4]octan-6-one [ACD/IUPAC Name]
(2S,4R)-5,8,8-Triméthyl-3-oxatricyclo[3.2.1.02,4]octan-6-one [French] [ACD/IUPAC Name]
3-Oxatricyclo[3.2.1.02,4]octan-6-one, 5,8,8-trimethyl-, (2S,4R)- [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: 226.5±13.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.3±3.0 kJ/mol
Flash Point: 88.7±13.4 °C
Index of Refraction: 1.521
Molar Refractivity: 44.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.14
ACD/LogD (pH 5.5): 1.06
ACD/BCF (pH 5.5): 3.74
ACD/KOC (pH 5.5): 89.56
ACD/LogD (pH 7.4): 1.06
ACD/BCF (pH 7.4): 3.74
ACD/KOC (pH 7.4): 89.56
Polar Surface Area: 30 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 35.8±3.0 dyne/cm
Molar Volume: 144.7±3.0 cm3

Click to predict properties on the Chemicalize site


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