ChemSpider 2D Image | IN00244 | C9H14O2

IN00244

  • Molecular FormulaC9H14O2
  • Average mass154.206 Da
  • Monoisotopic mass154.099380 Da
  • ChemSpider ID28637709

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

Featured data source
Natural Product Updates

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

(1S,3R,5R)-3-Methyl-2-oxabicyclo[3.3.1]nonan-7-on [German] [ACD/IUPAC Name]
(1S,3R,5R)-3-Methyl-2-oxabicyclo[3.3.1]nonan-7-one [ACD/IUPAC Name]
(1S,3R,5R)-3-Méthyl-2-oxabicyclo[3.3.1]nonan-7-one [French] [ACD/IUPAC Name]
2-Oxabicyclo[3.3.1]nonan-7-one, 3-methyl-, (1S,3R,5R)- [ACD/Index Name]
IN00244

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

Density: 1.0±0.1 g/cm3
Boiling Point: 244.0±13.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 103.2±13.4 °C
Index of Refraction: 1.470
Molar Refractivity: 41.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.39
ACD/LogD (pH 5.5): 1.17
ACD/BCF (pH 5.5): 4.56
ACD/KOC (pH 5.5): 103.15
ACD/LogD (pH 7.4): 1.17
ACD/BCF (pH 7.4): 4.56
ACD/KOC (pH 7.4): 103.15
Polar Surface Area: 26 Å2
Polarizability: 16.4±0.5 10-24cm3
Surface Tension: 31.4±3.0 dyne/cm
Molar Volume: 148.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement