Found 1 result

Search term: IZZDIJOXSVSEQD (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,6aS)-11-Hydroxy-4a,6a-dimethyltetradecahydroindeno[4,5-h]isochromene-2,7-dione | C18H26O4

(4aR,6aS)-11-Hydroxy-4a,6a-dimethyltetradecahydroindeno[4,5-h]isochromene-2,7-dione

  • Molecular FormulaC18H26O4
  • Average mass306.397 Da
  • Monoisotopic mass306.183105 Da
  • ChemSpider ID30650434

  • defined stereocentres - 2 of 7 defined stereocentres

More details:

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

(4aR,6aS)-11-Hydroxy-4a,6a-dimethyltetradecahydroindeno[4,5-h]isochromen-2,7-dion [German] [ACD/IUPAC Name]
(4aR,6aS)-11-Hydroxy-4a,6a-dimethyltetradecahydroindeno[4,5-h]isochromene-2,7-dione [ACD/IUPAC Name]
(4aR,6aS)-11-Hydroxy-4a,6a-diméthyltétradécahydroindéno[4,5-h]isochromène-2,7-dione [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2,7-dione, tetradecahydro-11-hydroxy-4a,6a-dimethyl-, (4aR,6aS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 487.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.9±6.0 kJ/mol
Flash Point: 176.2±22.2 °C
Index of Refraction: 1.545
Molar Refractivity: 80.6±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.63
ACD/LogD (pH 5.5): 1.27
ACD/BCF (pH 5.5): 5.48
ACD/KOC (pH 5.5): 117.61
ACD/LogD (pH 7.4): 1.27
ACD/BCF (pH 7.4): 5.48
ACD/KOC (pH 7.4): 117.61
Polar Surface Area: 64 Å2
Polarizability: 32.0±0.5 10-24cm3
Surface Tension: 45.6±3.0 dyne/cm
Molar Volume: 255.2±3.0 cm3

Click to predict properties on the Chemicalize site


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