ChemSpider 2D Image | (2R,3R,4R,5R)-6-Methyl-1,2,3,4,5-heptanepentol | C8H18O5

(2R,3R,4R,5R)-6-Methyl-1,2,3,4,5-heptanepentol

  • Molecular FormulaC8H18O5
  • Average mass194.225 Da
  • Monoisotopic mass194.115417 Da
  • ChemSpider ID29784969
  • defined stereocentres - 4 of 4 defined stereocentres


More details:



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(2R,3R,4R,5R)-6-Methyl-1,2,3,4,5-heptanepentol [ACD/IUPAC Name]
(2R,3R,4R,5R)-6-Méthyl-1,2,3,4,5-heptanepentol [French] [ACD/IUPAC Name]
(2R,3R,4R,5R)-6-Methyl-1,2,3,4,5-heptanpentol [German] [ACD/IUPAC Name]
6-methylheptane-1,2,3,4,5-pentaol

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

Density: 1.3±0.1 g/cm3
Boiling Point: 453.3±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.2±6.0 kJ/mol
Flash Point: 229.6±21.9 °C
Index of Refraction: 1.533
Molar Refractivity: 46.6±0.3 cm3
#H bond acceptors: 5
#H bond donors: 5
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 1
ACD/LogP: -2.55
ACD/LogD (pH 5.5): -1.79
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.54
ACD/LogD (pH 7.4): -1.79
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.54
Polar Surface Area: 101 Å2
Polarizability: 18.5±0.5 10-24cm3
Surface Tension: 62.1±3.0 dyne/cm
Molar Volume: 150.0±3.0 cm3

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