ChemSpider 2D Image | {(2R)-2-Methyl-3-oxo-5-[(1S)-1,5,5-trimethyl-4-oxo-2-cyclopenten-1-yl]-2,3-dihydro-2-furanyl}acetic acid | C15H18O5

{(2R)-2-Methyl-3-oxo-5-[(1S)-1,5,5-trimethyl-4-oxo-2-cyclopenten-1-yl]-2,3-dihydro-2-furanyl}acetic acid

  • Molecular FormulaC15H18O5
  • Average mass278.300 Da
  • Monoisotopic mass278.115417 Da
  • ChemSpider ID78439446

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

{(2R)-2-Methyl-3-oxo-5-[(1S)-1,5,5-trimethyl-4-oxo-2-cyclopenten-1-yl]-2,3-dihydro-2-furanyl}acetic acid [ACD/IUPAC Name]
{(2R)-2-Methyl-3-oxo-5-[(1S)-1,5,5-trimethyl-4-oxo-2-cyclopenten-1-yl]-2,3-dihydro-2-furanyl}essigsäure [German] [ACD/IUPAC Name]
2-Furanacetic acid, 2,3-dihydro-2-methyl-3-oxo-5-[(1S)-1,5,5-trimethyl-4-oxo-2-cyclopenten-1-yl]-, (2R)- [ACD/Index Name]
Acide {(2R)-2-méthyl-3-oxo-5-[(1S)-1,5,5-triméthyl-4-oxo-2-cyclopentén-1-yl]-2,3-dihydro-2-furanyl}acétique [French] [ACD/IUPAC Name]
Flammufuranone A

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

Density: 1.2±0.1 g/cm3
Boiling Point: 458.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 78.7±6.0 kJ/mol
Flash Point: 170.3±22.2 °C
Index of Refraction: 1.529
Molar Refractivity: 70.1±0.3 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.04
ACD/LogD (pH 5.5): -0.76
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.56
ACD/LogD (pH 7.4): -2.43
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 81 Å2
Polarizability: 27.8±0.5 10-24cm3
Surface Tension: 44.0±3.0 dyne/cm
Molar Volume: 227.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement