Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | 4-[1-Cyclododecyl-3-(4-ethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate | C39H45NO6

4-[1-Cyclododecyl-3-(4-ethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID117910613

More details:

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

2H-Pyrrol-2-one, 5-[4-(benzoyloxy)-3-methoxyphenyl]-1-cyclododecyl-4-(4-ethylbenzoyl)-1,5-dihydro-3-hydroxy- [ACD/Index Name]
4-[1-Cyclododecyl-3-(4-ethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate [ACD/IUPAC Name]
4-[1-Cyclododecyl-3-(4-ethylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-[1-cyclododécyl-3-(4-éthylbenzoyl)-4-hydroxy-5-oxo-2,5-dihydro-1H-pyrrol-2-yl]-2-méthoxyphényle [French] [ACD/IUPAC 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: 801.0±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.1±3.0 kJ/mol
Flash Point: 438.2±34.3 °C
Index of Refraction: 1.589
Molar Refractivity: 178.7±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 2
ACD/LogP: 10.44
ACD/LogD (pH 5.5): 7.44
ACD/BCF (pH 5.5): 149715.83
ACD/KOC (pH 5.5): 89217.19
ACD/LogD (pH 7.4): 5.68
ACD/BCF (pH 7.4): 2582.65
ACD/KOC (pH 7.4): 1539.03
Polar Surface Area: 93 Å2
Polarizability: 70.8±0.5 10-24cm3
Surface Tension: 49.1±3.0 dyne/cm
Molar Volume: 530.5±3.0 cm3

Click to predict properties on the Chemicalize site


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