ChemSpider 2D Image | 2-Methyl-2-propanyl 2-ethyl-2-{[cis-4-(hydroxymethyl)cyclohexyl]carbamoyl}butanoate | C18H33NO4

2-Methyl-2-propanyl 2-ethyl-2-{[cis-4-(hydroxymethyl)cyclohexyl]carbamoyl}butanoate

  • Molecular FormulaC18H33NO4
  • Average mass327.459 Da
  • Monoisotopic mass327.240967 Da
  • ChemSpider ID64971172

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

2-Éthyl-2-{[cis-4-(hydroxyméthyl)cyclohexyl]carbamoyl}butanoate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl 2-ethyl-2-{[cis-4-(hydroxymethyl)cyclohexyl]carbamoyl}butanoate [ACD/IUPAC Name]
2-Methyl-2-propanyl-2-ethyl-2-{[cis-4-(hydroxymethyl)cyclohexyl]carbamoyl}butanoat [German] [ACD/IUPAC Name]
Butanoic acid, 2-ethyl-2-[[[cis-4-(hydroxymethyl)cyclohexyl]amino]carbonyl]-, 1,1-dimethylethyl ester [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.0±0.1 g/cm3
Boiling Point: 481.4±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 86.0±6.0 kJ/mol
Flash Point: 245.0±24.0 °C
Index of Refraction: 1.489
Molar Refractivity: 90.5±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.99
ACD/BCF (pH 5.5): 111.16
ACD/KOC (pH 5.5): 1014.16
ACD/LogD (pH 7.4): 2.99
ACD/BCF (pH 7.4): 111.16
ACD/KOC (pH 7.4): 1014.16
Polar Surface Area: 76 Å2
Polarizability: 35.9±0.5 10-24cm3
Surface Tension: 39.6±5.0 dyne/cm
Molar Volume: 313.3±5.0 cm3

Click to predict properties on the Chemicalize site


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