ChemSpider 2D Image | Carbamic acid, [(1S)-1-(hydroxymethyl)-1,5-pentanediyl]bis-, bis(1,1-dimethylethyl) ester | C16H32N2O5

Carbamic acid, [(1S)-1-(hydroxymethyl)-1,5-pentanediyl]bis-, bis(1,1-dimethylethyl) ester

  • Molecular FormulaC16H32N2O5
  • Average mass332.436 Da
  • Monoisotopic mass332.231110 Da
  • ChemSpider ID103883704

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

[(2S)-1-Hydroxy-6-({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)-2-hexanyl]carbamate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]
2-Methyl-2-propanyl [(2S)-1-hydroxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexanyl]carbamate [ACD/IUPAC Name]
2-Methyl-2-propanyl-[(2S)-1-hydroxy-6-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-2-hexanyl]carbamat [German] [ACD/IUPAC Name]
85535-55-3 [RN]
Carbamic acid, [(1S)-1-(hydroxymethyl)-1,5-pentanediyl]bis-, bis(1,1-dimethylethyl) ester

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

Density: 1.1±0.1 g/cm3
Boiling Point: 484.2±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.4±6.0 kJ/mol
Flash Point: 246.6±27.3 °C
Index of Refraction: 1.472
Molar Refractivity: 88.3±0.3 cm3
#H bond acceptors: 7
#H bond donors: 3
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.26
ACD/LogD (pH 5.5): 2.28
ACD/BCF (pH 5.5): 31.88
ACD/KOC (pH 5.5): 414.78
ACD/LogD (pH 7.4): 2.28
ACD/BCF (pH 7.4): 31.88
ACD/KOC (pH 7.4): 414.77
Polar Surface Area: 97 Å2
Polarizability: 35.0±0.5 10-24cm3
Surface Tension: 37.2±3.0 dyne/cm
Molar Volume: 315.2±3.0 cm3

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