ChemSpider 2D Image | (2R,3R)-4-[(4-Methoxybenzyl)oxy]-3-methyl-1,2-butanediol | C13H20O4

(2R,3R)-4-[(4-Methoxybenzyl)oxy]-3-methyl-1,2-butanediol

  • Molecular FormulaC13H20O4
  • Average mass240.296 Da
  • Monoisotopic mass240.136154 Da
  • ChemSpider ID30992585
  • defined stereocentres - 2 of 2 defined stereocentres


More details:






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

(2R,3R)-4-[(4-Methoxybenzyl)oxy]-3-methyl-1,2-butandiol [German] [ACD/IUPAC Name]
(2R,3R)-4-[(4-Methoxybenzyl)oxy]-3-methyl-1,2-butanediol [ACD/IUPAC Name]
(2R,3R)-4-[(4-Méthoxybenzyl)oxy]-3-méthyl-1,2-butanediol [French] [ACD/IUPAC Name]
1,2-Butanediol, 4-[(4-methoxyphenyl)methoxy]-3-methyl-, (2R,3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 406.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.4±3.0 kJ/mol
Flash Point: 199.7±27.3 °C
Index of Refraction: 1.525
Molar Refractivity: 65.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 1.08
ACD/LogD (pH 5.5): 1.08
ACD/BCF (pH 5.5): 3.90
ACD/KOC (pH 5.5): 92.14
ACD/LogD (pH 7.4): 1.08
ACD/BCF (pH 7.4): 3.90
ACD/KOC (pH 7.4): 92.14
Polar Surface Area: 59 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 42.5±3.0 dyne/cm
Molar Volume: 214.4±3.0 cm3

Click to predict properties on the Chemicalize site






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