ChemSpider 2D Image | (1R)-1-[(2S)-3-Hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propoxy]-1-hexanol | C14H30O5

(1R)-1-[(2S)-3-Hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propoxy]-1-hexanol

  • Molecular FormulaC14H30O5
  • Average mass278.385 Da
  • Monoisotopic mass278.209320 Da
  • ChemSpider ID35034972
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(1R)-1-[(2S)-3-Hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propoxy]-1-hexanol [German] [ACD/IUPAC Name]
(1R)-1-[(2S)-3-Hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propoxy]-1-hexanol [ACD/IUPAC Name]
(1R)-1-[(2S)-3-Hydroxy-2-{[(1R)-1-hydroxypentyl]oxy}propoxy]-1-hexanol [French] [ACD/IUPAC Name]
(1r)-1-{[(2s)-3-Hydroxy-2-{[(1r)-1-Hydroxypentyl]oxy}propyl]oxy}hexan-1-Ol
1-Hexanol, 1-[(2S)-3-hydroxy-2-[[(1R)-1-hydroxypentyl]oxy]propoxy]-, (1R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 365.9±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 70.9±6.0 kJ/mol
Flash Point: 175.1±25.1 °C
Index of Refraction: 1.475
Molar Refractivity: 74.9±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 0
ACD/LogP: 2.85
ACD/LogD (pH 5.5): 2.03
ACD/BCF (pH 5.5): 20.37
ACD/KOC (pH 5.5): 301.04
ACD/LogD (pH 7.4): 2.03
ACD/BCF (pH 7.4): 20.37
ACD/KOC (pH 7.4): 301.04
Polar Surface Area: 79 Å2
Polarizability: 29.7±0.5 10-24cm3
Surface Tension: 40.4±3.0 dyne/cm
Molar Volume: 266.0±3.0 cm3

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