ChemSpider 2D Image | Ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo-8-nonenoate | C16H27NO5

Ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo-8-nonenoate

  • Molecular FormulaC16H27NO5
  • Average mass313.389 Da
  • Monoisotopic mass313.188934 Da
  • ChemSpider ID24748691

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-2-({[(2-Méthyl-2-propanyl)oxy]carbonyl}amino)-5-oxo-8-nonénoate d'éthyle [French] [ACD/IUPAC Name]
8-Nonenoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-oxo-, ethyl ester, (2S)- [ACD/Index Name]
Ethyl (2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo-8-nonenoate [ACD/IUPAC Name]
Ethyl-(2S)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)-5-oxo-8-nonenoat [German] [ACD/IUPAC Name]
(2S)-2-[[(Tert-butoxy)carbonyl]amino]-5-oxo-8-nonenoic acid ethyl ester
(S)-ethyl 2-(tert-butoxycarbonyl)-5-oxonon-8-enoate
881683-80-3 [RN]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 429.1±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.4±3.0 kJ/mol
Flash Point: 213.3±27.3 °C
Index of Refraction: 1.464
Molar Refractivity: 83.0±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 0
ACD/LogP: 3.42
ACD/LogD (pH 5.5): 3.03
ACD/BCF (pH 5.5): 117.68
ACD/KOC (pH 5.5): 1056.36
ACD/LogD (pH 7.4): 3.03
ACD/BCF (pH 7.4): 117.65
ACD/KOC (pH 7.4): 1056.14
Polar Surface Area: 82 Å2
Polarizability: 32.9±0.5 10-24cm3
Surface Tension: 35.1±3.0 dyne/cm
Molar Volume: 301.1±3.0 cm3

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