ChemSpider 2D Image | 2-({8-[(1S,2R)-2-Octylcyclopropyl]octyl}oxy)-1,3-propanediol | C22H44O3

2-({8-[(1S,2R)-2-Octylcyclopropyl]octyl}oxy)-1,3-propanediol

  • Molecular FormulaC22H44O3
  • Average mass356.583 Da
  • Monoisotopic mass356.329041 Da
  • ChemSpider ID23217131

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1,3-Propanediol, 2-[[8-[(1S,2R)-2-octylcyclopropyl]octyl]oxy]- [ACD/Index Name]
2-({8-[(1S,2R)-2-Octylcyclopropyl]octyl}oxy)-1,3-propandiol [German] [ACD/IUPAC Name]
2-({8-[(1S,2R)-2-Octylcyclopropyl]octyl}oxy)-1,3-propanediol [ACD/IUPAC Name]
2-({8-[(1S,2R)-2-Octylcyclopropyl]octyl}oxy)-1,3-propanediol [French] [ACD/IUPAC Name]
2-({8-[(1S,2R)-2-octylcyclopropyl]octyl}oxy)propane-1,3-diol
2-[8-((1S,2R)-2-Octyl-cyclopropyl)-octyloxy]-propane-1,3-diol
CHEMBL141241

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

Density: 0.9±0.1 g/cm3
Boiling Point: 480.0±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 85.8±6.0 kJ/mol
Flash Point: 244.1±23.2 °C
Index of Refraction: 1.477
Molar Refractivity: 106.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 7.75
ACD/LogD (pH 5.5): 7.26
ACD/BCF (pH 5.5): 192235.03
ACD/KOC (pH 5.5): 210738.23
ACD/LogD (pH 7.4): 7.26
ACD/BCF (pH 7.4): 192235.03
ACD/KOC (pH 7.4): 210738.23
Polar Surface Area: 50 Å2
Polarizability: 42.3±0.5 10-24cm3
Surface Tension: 37.6±3.0 dyne/cm
Molar Volume: 377.7±3.0 cm3

Click to predict properties on the Chemicalize site


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