Found 22 results

Search term: MF = 'C_{39}H_{45}NO_{6}'
ChemSpider 2D Image | 4-[1-Decyl-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate | C39H45NO6

4-[1-Decyl-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate

  • Molecular FormulaC39H45NO6
  • Average mass623.778 Da
  • Monoisotopic mass623.324707 Da
  • ChemSpider ID117902809

More details:

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

2H-Pyrrol-2-one, 5-[4-(benzoyloxy)-3-methoxyphenyl]-1-decyl-1,5-dihydro-3-hydroxy-4-[(5,6,7,8-tetrahydro-2-naphthalenyl)carbonyl]- [ACD/Index Name]
4-[1-Decyl-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalenylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl benzoate [ACD/IUPAC Name]
4-[1-Decyl-4-hydroxy-5-oxo-3-(5,6,7,8-tetrahydro-2-naphthalinylcarbonyl)-2,5-dihydro-1H-pyrrol-2-yl]-2-methoxyphenyl-benzoat [German] [ACD/IUPAC Name]
Benzoate de 4-[1-décyl-4-hydroxy-5-oxo-3-(5,6,7,8-tétrahydro-2-naphtalénylcarbonyl)-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: 803.6±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 122.5±3.0 kJ/mol
Flash Point: 439.8±34.3 °C
Index of Refraction: 1.594
Molar Refractivity: 178.9±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 16
#Rule of 5 Violations: 2
ACD/LogP: 10.47
ACD/LogD (pH 5.5): 8.60
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 379771.28
ACD/LogD (pH 7.4): 6.83
ACD/BCF (pH 7.4): 19539.72
ACD/KOC (pH 7.4): 6551.19
Polar Surface Area: 93 Å2
Polarizability: 70.9±0.5 10-24cm3
Surface Tension: 50.2±3.0 dyne/cm
Molar Volume: 527.6±3.0 cm3

Click to predict properties on the Chemicalize site


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