ChemSpider 2D Image | (7S)-7-Ethyl-4-methoxy-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one | C11H14O4

(7S)-7-Ethyl-4-methoxy-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one

  • Molecular FormulaC11H14O4
  • Average mass210.227 Da
  • Monoisotopic mass210.089203 Da
  • ChemSpider ID31116302
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(7S)-7-Ethyl-4-methoxy-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-on [German] [ACD/IUPAC Name]
(7S)-7-Ethyl-4-methoxy-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [ACD/IUPAC Name]
(7S)-7-Éthyl-4-méthoxy-7,8-dihydro-2H,5H-pyrano[4,3-b]pyran-2-one [French] [ACD/IUPAC Name]
2H,5H-Pyrano[4,3-b]pyran-2-one, 7-ethyl-7,8-dihydro-4-methoxy-, (7S)- [ACD/Index Name]
Pyrenocine J

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

Density: 1.2±0.1 g/cm3
Boiling Point: 398.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.9±3.0 kJ/mol
Flash Point: 180.5±27.9 °C
Index of Refraction: 1.519
Molar Refractivity: 53.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.33
ACD/LogD (pH 5.5): 1.23
ACD/BCF (pH 5.5): 5.07
ACD/KOC (pH 5.5): 111.33
ACD/LogD (pH 7.4): 1.23
ACD/BCF (pH 7.4): 5.07
ACD/KOC (pH 7.4): 111.33
Polar Surface Area: 45 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 39.3±5.0 dyne/cm
Molar Volume: 175.6±5.0 cm3

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