Found 21 results

Search term: MF = 'C_{29}H_{36}BrNO_{7}'
ChemSpider 2D Image | 5-(3-Bromo-4-butoxy-5-methoxyphenyl)-3-hydroxy-1-(5-hydroxypentyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one | C29H36BrNO7

5-(3-Bromo-4-butoxy-5-methoxyphenyl)-3-hydroxy-1-(5-hydroxypentyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one

  • Molecular FormulaC29H36BrNO7
  • Average mass590.503 Da
  • Monoisotopic mass589.167480 Da
  • ChemSpider ID117936922

More details:

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

2H-Pyrrol-2-one, 5-(3-bromo-4-butoxy-5-methoxyphenyl)-1,5-dihydro-3-hydroxy-1-(5-hydroxypentyl)-4-(4-methoxy-3-methylbenzoyl)- [ACD/Index Name]
5-(3-Brom-4-butoxy-5-methoxyphenyl)-3-hydroxy-1-(5-hydroxypentyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-on [German] [ACD/IUPAC Name]
5-(3-Bromo-4-butoxy-5-methoxyphenyl)-3-hydroxy-1-(5-hydroxypentyl)-4-(4-methoxy-3-methylbenzoyl)-1,5-dihydro-2H-pyrrol-2-one [ACD/IUPAC Name]
5-(3-Bromo-4-butoxy-5-méthoxyphényl)-3-hydroxy-1-(5-hydroxypentyl)-4-(4-méthoxy-3-méthylbenzoyl)-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: 1.3±0.1 g/cm3
Boiling Point: 723.9±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.0±3.0 kJ/mol
Flash Point: 391.6±32.9 °C
Index of Refraction: 1.587
Molar Refractivity: 148.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 5.47
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 60.49
ACD/KOC (pH 5.5): 332.15
ACD/LogD (pH 7.4): 1.21
ACD/BCF (pH 7.4): 1.04
ACD/KOC (pH 7.4): 5.73
Polar Surface Area: 106 Å2
Polarizability: 58.9±0.5 10-24cm3
Surface Tension: 51.1±3.0 dyne/cm
Molar Volume: 442.3±3.0 cm3

Click to predict properties on the Chemicalize site


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