Found 1 result

Search term: OBNOPHCLQOVYMZ (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (4aR,6aS,7S)-7-Hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydroindeno[4,5-h]isochromen-2(4H)-one | C18H26O3

(4aR,6aS,7S)-7-Hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydroindeno[4,5-h]isochromen-2(4H)-one

  • Molecular FormulaC18H26O3
  • Average mass290.397 Da
  • Monoisotopic mass290.188202 Da
  • ChemSpider ID30650432

  • defined stereocentres - 3 of 6 defined stereocentres

More details:

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

(4aR,6aS,7S)-7-Hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydroindeno[4,5-h]isochromen-2(4H)-on [German] [ACD/IUPAC Name]
(4aR,6aS,7S)-7-Hydroxy-4a,6a-dimethyl-4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydroindeno[4,5-h]isochromen-2(4H)-one [ACD/IUPAC Name]
(4aR,6aS,7S)-7-Hydroxy-4a,6a-diméthyl-4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodécahydroindéno[4,5-h]isochromén-2(4H)-one [French] [ACD/IUPAC Name]
Cyclopenta[5,6]naphtho[1,2-c]pyran-2(4H)-one, 4a,4b,5,6,6a,7,8,9,9a,9b,10,11-dodecahydro-7-hydroxy-4a,6a-dimethyl-, (4aR,6aS,7S)- [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: 463.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.5±6.0 kJ/mol
Flash Point: 192.3±21.5 °C
Index of Refraction: 1.563
Molar Refractivity: 80.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 2.95
ACD/LogD (pH 5.5): 2.89
ACD/BCF (pH 5.5): 93.36
ACD/KOC (pH 5.5): 895.07
ACD/LogD (pH 7.4): 2.89
ACD/BCF (pH 7.4): 93.36
ACD/KOC (pH 7.4): 895.07
Polar Surface Area: 47 Å2
Polarizability: 31.8±0.5 10-24cm3
Surface Tension: 46.3±5.0 dyne/cm
Molar Volume: 246.8±5.0 cm3

Click to predict properties on the Chemicalize site


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