ChemSpider 2D Image | (2R)-2-{(2R)-1-[(4-Methoxybenzyl)oxy]-2-propanyl}oxirane | C13H18O3

(2R)-2-{(2R)-1-[(4-Methoxybenzyl)oxy]-2-propanyl}oxirane

  • Molecular FormulaC13H18O3
  • Average mass222.280 Da
  • Monoisotopic mass222.125595 Da
  • ChemSpider ID30992586
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R)-2-{(2R)-1-[(4-Methoxybenzyl)oxy]-2-propanyl}oxiran [German] [ACD/IUPAC Name]
(2R)-2-{(2R)-1-[(4-Methoxybenzyl)oxy]-2-propanyl}oxirane [ACD/IUPAC Name]
(2R)-2-{(2R)-1-[(4-Méthoxybenzyl)oxy]-2-propanyl}oxirane [French] [ACD/IUPAC Name]
Oxirane, 2-[(1R)-2-[(4-methoxyphenyl)methoxy]-1-methylethyl]-, (2R)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 310.6±17.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.9±3.0 kJ/mol
Flash Point: 103.7±18.2 °C
Index of Refraction: 1.522
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.53
ACD/BCF (pH 5.5): 49.55
ACD/KOC (pH 5.5): 568.78
ACD/LogD (pH 7.4): 2.53
ACD/BCF (pH 7.4): 49.55
ACD/KOC (pH 7.4): 568.78
Polar Surface Area: 31 Å2
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 39.0±3.0 dyne/cm
Molar Volume: 204.0±3.0 cm3

Click to predict properties on the Chemicalize site






Advertisement