ChemSpider 2D Image | (3R,4aR,4bS,10aS,12aS)-3-(3-Furyl)-4a-methyl-3,4,4a,11,12,12a-hexahydro-1H-[2]benzofuro[4,3a-f]isochromene-1,8(4bH)-dione | C20H20O5

(3R,4aR,4bS,10aS,12aS)-3-(3-Furyl)-4a-methyl-3,4,4a,11,12,12a-hexahydro-1H-[2]benzofuro[4,3a-f]isochromene-1,8(4bH)-dione

  • Molecular FormulaC20H20O5
  • Average mass340.370 Da
  • Monoisotopic mass340.131073 Da
  • ChemSpider ID88297927

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3R,4aR,4bS,10aS,12aS)-3-(3-Furyl)-4a-methyl-3,4,4a,11,12,12a-hexahydro-1H-[2]benzofuro[4,3a-f]isochromen-1,8(4bH)-dion [German] [ACD/IUPAC Name]
(3R,4aR,4bS,10aS,12aS)-3-(3-Furyl)-4a-methyl-3,4,4a,11,12,12a-hexahydro-1H-[2]benzofuro[4,3a-f]isochromene-1,8(4bH)-dione [ACD/IUPAC Name]
(3R,4aR,4bS,10aS,12aS)-3-(3-Furyl)-4a-méthyl-3,4,4a,11,12,12a-hexahydro-1H-[2]benzofuro[4,3a-f]isochromène-1,8(4bH)-dione [French] [ACD/IUPAC Name]
1H,10H-Furo[3',4':4a,5]naphtho[2,1-c]pyran-1,8(4bH)-dione, 3-(3-furanyl)-3,4,4a,11,12,12a-hexahydro-4a-methyl-, (3R,4aR,4bS,10aS,12aS)- [ACD/Index Name]
(1S,4S,7R,9R,10S)-7-(furan-3-yl)-9-methyl-6,16-dioxatetracyclo[8.7.0.01,14.04,9]heptadeca-11,13-diene-5,15-dione
113973-98-1 [RN]
Linearolactone

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

Density: 1.3±0.1 g/cm3
Boiling Point: 599.5±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 316.4±30.1 °C
Index of Refraction: 1.612
Molar Refractivity: 88.4±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.55
ACD/LogD (pH 5.5): 2.42
ACD/BCF (pH 5.5): 40.82
ACD/KOC (pH 5.5): 495.12
ACD/LogD (pH 7.4): 2.42
ACD/BCF (pH 7.4): 40.82
ACD/KOC (pH 7.4): 495.12
Polar Surface Area: 66 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 54.6±5.0 dyne/cm
Molar Volume: 254.3±5.0 cm3

Click to predict properties on the Chemicalize site


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