ChemSpider 2D Image | 3-Methoxycyclohexyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate | C15H27NO5

3-Methoxycyclohexyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate

  • Molecular FormulaC15H27NO5
  • Average mass301.379 Da
  • Monoisotopic mass301.188934 Da
  • ChemSpider ID30323482

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

3-Methoxycyclohexyl N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninate [ACD/IUPAC Name]
3-Methoxycyclohexyl-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alaninat [German] [ACD/IUPAC Name]
L-Alanine, N-[(1,1-dimethylethoxy)carbonyl]-, 3-methoxycyclohexyl ester [ACD/Index Name]
N-{[(2-Méthyl-2-propanyl)oxy]carbonyl}-L-alaninate de 3-méthoxycyclohexyle [French] [ACD/IUPAC Name]
3-METHOXYCYCLOHEXYL (2S)-2-[(TERT-BUTOXYCARBONYL)AMINO]PROPANOATE
3-METHOXYCYCLOHEXYL (2S)-2-{[(TERT-BUTOXY)CARBONYL]AMINO}PROPANOATE

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

Density: 1.1±0.1 g/cm3
Boiling Point: 397.7±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.8±3.0 kJ/mol
Flash Point: 194.3±26.5 °C
Index of Refraction: 1.473
Molar Refractivity: 78.5±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.27
ACD/LogD (pH 5.5): 2.35
ACD/BCF (pH 5.5): 35.98
ACD/KOC (pH 5.5): 452.29
ACD/LogD (pH 7.4): 2.35
ACD/BCF (pH 7.4): 35.97
ACD/KOC (pH 7.4): 452.21
Polar Surface Area: 74 Å2
Polarizability: 31.1±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 279.7±5.0 cm3

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