ChemSpider 2D Image | (5R)-3-Hydroxy-4,5-dimethyl-2(5H)-furanone | C6H8O3

(5R)-3-Hydroxy-4,5-dimethyl-2(5H)-furanone

  • Molecular FormulaC6H8O3
  • Average mass128.126 Da
  • Monoisotopic mass128.047348 Da
  • ChemSpider ID32700889

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(-)-4,5-dimethyl-3-hydroxy-2,5-dihydro-2-furanone
(5R)-3-Hydroxy-4,5-dimethyl-2(5H)-furanon [German] [ACD/IUPAC Name]
(5R)-3-Hydroxy-4,5-dimethyl-2(5H)-furanone [ACD/IUPAC Name]
(5R)-3-Hydroxy-4,5-diméthyl-2(5H)-furanone [French] [ACD/IUPAC Name]
2(5H)-Furanone, 3-hydroxy-4,5-dimethyl-, (5R)- [ACD/Index Name]
87068-70-0 [RN]
249-136-4 [EINECS]
28664-35-9 [RN]
4,5-Dimethyl-3-hydroxy-2,5-dihydro-2-furanone
4,5-DIMETHYL-3-HYDROXY-2,5-DIHYDRO-2-FURANONE, (-)-
More...

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

R50X9GV0P2 [DBID]
UNII:R50X9GV0P2 [DBID]
UNII-R50X9GV0P2 [DBID]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 312.0±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 64.1±6.0 kJ/mol
Flash Point: 149.2±20.7 °C
Index of Refraction: 1.513
Molar Refractivity: 30.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.44
ACD/LogD (pH 5.5): 0.02
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 24.50
ACD/LogD (pH 7.4): 0.02
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 24.19
Polar Surface Area: 47 Å2
Polarizability: 12.2±0.5 10-24cm3
Surface Tension: 42.2±3.0 dyne/cm
Molar Volume: 102.5±3.0 cm3

Click to predict properties on the Chemicalize site


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