Found 1 result

Search term: OIIJEANIPSZTRO (Found by InChIKey (skeleton match))
ChemSpider 2D Image | (5R)-5-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3,7-dimethyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione | C17H26N4O4

(5R)-5-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3,7-dimethyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione

  • Molecular FormulaC17H26N4O4
  • Average mass350.413 Da
  • Monoisotopic mass350.195404 Da
  • ChemSpider ID30651412

  • defined stereocentres - 1 of 4 defined stereocentres

More details:

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

(5R)-5-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3,7-dimethyl-5,7-dihydro-1H-purin-2,6,8(3H)-trion [German] [ACD/IUPAC Name]
(5R)-5-[(2-Isopropyl-5-methylcyclohexyl)oxy]-3,7-dimethyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione [ACD/IUPAC Name]
(5R)-5-[(2-Isopropyl-5-méthylcyclohexyl)oxy]-3,7-diméthyl-5,7-dihydro-1H-purine-2,6,8(3H)-trione [French] [ACD/IUPAC Name]
1H-Purine-2,6,8(3H)-trione, 5,7-dihydro-3,7-dimethyl-5-[[5-methyl-2-(1-methylethyl)cyclohexyl]oxy]-, (5R)- [ACD/Index Name]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 456.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 82.6±6.0 kJ/mol
Flash Point: 229.9±31.5 °C
Index of Refraction: 1.643
Molar Refractivity: 90.8±0.5 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.61
ACD/LogD (pH 5.5): -0.54
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 1.12
ACD/LogD (pH 7.4): -1.68
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 95 Å2
Polarizability: 36.0±0.5 10-24cm3
Surface Tension: 50.0±7.0 dyne/cm
Molar Volume: 251.1±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement