ChemSpider 2D Image | (3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)dihydro-2(3H)-furanone | C11H20O4

(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)dihydro-2(3H)-furanone

  • Molecular FormulaC11H20O4
  • Average mass216.274 Da
  • Monoisotopic mass216.136154 Da
  • ChemSpider ID23550640
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxymethyl)dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4R)-3-[(1S)-1-Hydroxyhexyl]-4-(hydroxyméthyl)dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, dihydro-3-[(1S)-1-hydroxyhexyl]-4-(hydroxymethyl)-, (3S,4R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 399.7±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.2±6.0 kJ/mol
Flash Point: 153.8±11.7 °C
Index of Refraction: 1.486
Molar Refractivity: 55.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 0.09
ACD/LogD (pH 5.5): 0.99
ACD/BCF (pH 5.5): 3.35
ACD/KOC (pH 5.5): 82.60
ACD/LogD (pH 7.4): 0.99
ACD/BCF (pH 7.4): 3.35
ACD/KOC (pH 7.4): 82.60
Polar Surface Area: 67 Å2
Polarizability: 22.1±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 194.0±3.0 cm3

Click to predict properties on the Chemicalize site





Feedback Form