ChemSpider 2D Image | 4-(3,4-Dimethoxybenzoyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-octyl-1,5-dihydro-2H-pyrrol-2-one | C34H47NO7

4-(3,4-Dimethoxybenzoyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-octyl-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC34H47NO7
  • Average mass581.740 Da
  • Monoisotopic mass581.335266 Da
  • ChemSpider ID117907188

More details:

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

2H-Pyrrol-2-one, 4-(3,4-dimethoxybenzoyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-1,5-dihydro-3-hydroxy-1-octyl- [ACD/Index Name]
4-(3,4-Dimethoxybenzoyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-octyl-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
4-(3,4-Dimethoxybenzoyl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-3-hydroxy-1-octyl-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
4-(3,4-Diméthoxybenzoyl)-5-[3-éthoxy-4-(pentyloxy)phényl]-3-hydroxy-1-octyl-1,5-dihydro-2H-pyrrol-2-one [French] [ACD/IUPAC 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: 712.6±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 109.4±3.0 kJ/mol
Flash Point: 384.7±32.9 °C
Index of Refraction: 1.546
Molar Refractivity: 164.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 1
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 2
ACD/LogP: 9.06
ACD/LogD (pH 5.5): 6.98
ACD/BCF (pH 5.5): 66956.21
ACD/KOC (pH 5.5): 50153.00
ACD/LogD (pH 7.4): 5.22
ACD/BCF (pH 7.4): 1155.02
ACD/KOC (pH 7.4): 865.16
Polar Surface Area: 95 Å2
Polarizability: 65.2±0.5 10-24cm3
Surface Tension: 43.9±3.0 dyne/cm
Molar Volume: 518.9±3.0 cm3

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