ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[(4-hydroxy-3,6-dioxo-5-tridecyl-1,4-cyclohexadien-1-yl)amino]butanoate | C27H45NO5

2-Methyl-2-propanyl 4-[(4-hydroxy-3,6-dioxo-5-tridecyl-1,4-cyclohexadien-1-yl)amino]butanoate

  • Molecular FormulaC27H45NO5
  • Average mass463.650 Da
  • Monoisotopic mass463.329773 Da
  • ChemSpider ID28648162

More details:

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

2-Methyl-2-propanyl 4-[(4-hydroxy-3,6-dioxo-5-tridecyl-1,4-cyclohexadien-1-yl)amino]butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[(4-hydroxy-3,6-dioxo-5-tridecyl-1,4-cyclohexadien-1-yl)amino]butanoat [German] [ACD/IUPAC Name]
4-[(4-Hydroxy-3,6-dioxo-5-tridécyl-1,4-cyclohexadién-1-yl)amino]butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
Butanoic acid, 4-[(4-hydroxy-3,6-dioxo-5-tridecyl-1,4-cyclohexadien-1-yl)amino]-, 1,1-dimethylethyl ester [ACD/Index 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: 575.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.6 mmHg at 25°C
Enthalpy of Vaporization: 99.1±6.0 kJ/mol
Flash Point: 302.1±30.1 °C
Index of Refraction: 1.509
Molar Refractivity: 131.4±0.4 cm3
#H bond acceptors: 6
#H bond donors: 2
#Freely Rotating Bonds: 19
#Rule of 5 Violations: 1
ACD/LogP: 8.46
ACD/LogD (pH 5.5): 5.76
ACD/BCF (pH 5.5): 4363.89
ACD/KOC (pH 5.5): 3489.99
ACD/LogD (pH 7.4): 4.50
ACD/BCF (pH 7.4): 237.39
ACD/KOC (pH 7.4): 189.85
Polar Surface Area: 93 Å2
Polarizability: 52.1±0.5 10-24cm3
Surface Tension: 42.5±5.0 dyne/cm
Molar Volume: 440.1±5.0 cm3

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