ChemSpider 2D Image | (5S)-5-[(6S)-6-Hydroxy-6-methyloctyl]-2(5H)-furanone | C13H22O3

(5S)-5-[(6S)-6-Hydroxy-6-methyloctyl]-2(5H)-furanone

  • Molecular FormulaC13H22O3
  • Average mass226.312 Da
  • Monoisotopic mass226.156891 Da
  • ChemSpider ID59701490

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(5S)-5-[(6S)-6-Hydroxy-6-methyloctyl]-2(5H)-furanon [German] [ACD/IUPAC Name]
(5S)-5-[(6S)-6-Hydroxy-6-methyloctyl]-2(5H)-furanone [ACD/IUPAC Name]
(5S)-5-[(6S)-6-Hydroxy-6-méthyloctyl]-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 5-[(6S)-6-hydroxy-6-methyloctyl]-, (5S)- [ACD/Index Name]
5-(6-hydroxy-6-methyl-octyl)-5H-furan-2-one

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

Density: 1.0±0.1 g/cm3
Boiling Point: 374.0±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 71.9±6.0 kJ/mol
Flash Point: 155.2±13.2 °C
Index of Refraction: 1.484
Molar Refractivity: 63.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 1.53
ACD/LogD (pH 5.5): 2.07
ACD/BCF (pH 5.5): 21.88
ACD/KOC (pH 5.5): 316.85
ACD/LogD (pH 7.4): 2.07
ACD/BCF (pH 7.4): 21.88
ACD/KOC (pH 7.4): 316.85
Polar Surface Area: 47 Å2
Polarizability: 25.0±0.5 10-24cm3
Surface Tension: 37.7±3.0 dyne/cm
Molar Volume: 220.2±3.0 cm3

Click to predict properties on the Chemicalize site


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