Found 12 results

Search term: MF = 'C_{30}H_{33}ClO_{6}'
ChemSpider 2D Image | 2-Isopropyl-5-methylcyclohexyl 3-(1-(4-chlorophenyl)-3-oxobutyl)-coumarin-4-yl carbonate | C30H33ClO6

2-Isopropyl-5-methylcyclohexyl 3-(1-(4-chlorophenyl)-3-oxobutyl)-coumarin-4-yl carbonate

  • Molecular FormulaC30H33ClO6
  • Average mass525.032 Da
  • Monoisotopic mass524.196594 Da
  • ChemSpider ID467809

More details:

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

2-Isopropyl-5-methylcyclohexyl 3-(1-(4-chlorophenyl)-3-oxobutyl)-coumarin-4-yl carbonate
3-[1-(4-Chlorophenyl)-3-oxobutyl]-2-oxo-2H-chromen-4-yl 2-isopropyl-5-methylcyclohexyl carbonate [ACD/IUPAC Name]
3-[1-(4-Chlorphenyl)-3-oxobutyl]-2-oxo-2H-chromen-4-yl-2-isopropyl-5-methylcyclohexylcarbonat [German] [ACD/IUPAC Name]
Carbonate de 3-[1-(4-chlorophényl)-3-oxobutyl]-2-oxo-2H-chromén-4-yle et de 2-isopropyl-5-méthylcyclohexyle [French] [ACD/IUPAC Name]
Carbonic acid, 3-[1-(4-chlorophenyl)-3-oxobutyl]-2-oxo-2H-1-benzopyran-4-yl 5-methyl-2-(1-methylethyl)cyclohexyl ester [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: 649.1±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.7±3.0 kJ/mol
Flash Point: 199.3±30.5 °C
Index of Refraction: 1.583
Molar Refractivity: 140.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 8.62
ACD/LogD (pH 5.5): 7.69
ACD/BCF (pH 5.5): 410939.72
ACD/KOC (pH 5.5): 363007.06
ACD/LogD (pH 7.4): 7.69
ACD/BCF (pH 7.4): 410939.72
ACD/KOC (pH 7.4): 363007.06
Polar Surface Area: 79 Å2
Polarizability: 55.7±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 420.2±5.0 cm3

Click to predict properties on the Chemicalize site


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