ChemSpider 2D Image | (3S,4S,5R)-4-Hydroxy-3-methyl-5-[(3R)-3-methyl-4-penten-2-yl]dihydro-2(3H)-furanone | C11H18O3

(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(3R)-3-methyl-4-penten-2-yl]dihydro-2(3H)-furanone

  • Molecular FormulaC11H18O3
  • Average mass198.259 Da
  • Monoisotopic mass198.125595 Da
  • ChemSpider ID24741421

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(3R)-3-methyl-4-penten-2-yl]dihydro-2(3H)-furanon [German] [ACD/IUPAC Name]
(3S,4S,5R)-4-Hydroxy-3-methyl-5-[(3R)-3-methyl-4-penten-2-yl]dihydro-2(3H)-furanone [ACD/IUPAC Name]
(3S,4S,5R)-4-Hydroxy-3-méthyl-5-[(3R)-3-méthyl-4-pentén-2-yl]dihydro-2(3H)-furanone [French] [ACD/IUPAC Name]
2(3H)-Furanone, 5-[(2R)-1,2-dimethyl-3-buten-1-yl]dihydro-4-hydroxy-3-methyl-, (3S,4S,5R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 322.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 65.4±6.0 kJ/mol
Flash Point: 134.2±18.7 °C
Index of Refraction: 1.479
Molar Refractivity: 53.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.01
ACD/LogD (pH 5.5): 1.40
ACD/BCF (pH 5.5): 6.86
ACD/KOC (pH 5.5): 138.19
ACD/LogD (pH 7.4): 1.40
ACD/BCF (pH 7.4): 6.86
ACD/KOC (pH 7.4): 138.19
Polar Surface Area: 47 Å2
Polarizability: 21.4±0.5 10-24cm3
Surface Tension: 34.9±3.0 dyne/cm
Molar Volume: 190.3±3.0 cm3

Click to predict properties on the Chemicalize site


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