Found 2 results

Search term: GNERIJJUXCDGNA (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (3R,4aS,7aS,8S)-3,7a-Dimethyl-8-[(2-methyl-2-propanyl)oxy]tetradecahydroindeno[5,6-f]chromen-4a(1H)-ol | C22H38O3

(3R,4aS,7aS,8S)-3,7a-Dimethyl-8-[(2-methyl-2-propanyl)oxy]tetradecahydroindeno[5,6-f]chromen-4a(1H)-ol

  • Molecular FormulaC22H38O3
  • Average mass350.535 Da
  • Monoisotopic mass350.282104 Da
  • ChemSpider ID30651139

  • defined stereocentres - 4 of 8 defined stereocentres

More details:

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

(3R,4aS,7aS,8S)-3,7a-Dimethyl-8-[(2-methyl-2-propanyl)oxy]tetradecahydroindeno[5,6-f]chromen-4a(1H)-ol [German] [ACD/IUPAC Name]
(3R,4aS,7aS,8S)-3,7a-Dimethyl-8-[(2-methyl-2-propanyl)oxy]tetradecahydroindeno[5,6-f]chromen-4a(1H)-ol [ACD/IUPAC Name]
(3R,4aS,7aS,8S)-3,7a-Diméthyl-8-[(2-méthyl-2-propanyl)oxy]tétradécahydroindéno[5,6-f]chromén-4a(1H)-ol [French] [ACD/IUPAC Name]
Cyclopenta[6,7]naphtho[2,1-b]pyran-4a(1H)-ol, 8-(1,1-dimethylethoxy)tetradecahydro-3,7a-dimethyl-, (3R,4aS,7aS,8S)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 439.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 80.4±6.0 kJ/mol
Flash Point: 219.8±28.7 °C
Index of Refraction: 1.523
Molar Refractivity: 100.7±0.4 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 4.54
ACD/BCF (pH 5.5): 1659.20
ACD/KOC (pH 5.5): 7021.05
ACD/LogD (pH 7.4): 4.54
ACD/BCF (pH 7.4): 1659.20
ACD/KOC (pH 7.4): 7021.04
Polar Surface Area: 39 Å2
Polarizability: 39.9±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 329.3±5.0 cm3

Click to predict properties on the Chemicalize site


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