ChemSpider 2D Image | [3-(3-Methylbutyl)bicyclo[1.1.1]pent-1-yl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid | C17H29NO4

[3-(3-Methylbutyl)bicyclo[1.1.1]pent-1-yl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid

  • Molecular FormulaC17H29NO4
  • Average mass311.417 Da
  • Monoisotopic mass311.209656 Da
  • ChemSpider ID74785980

More details:

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

[3-(3-Methylbutyl)bicyclo[1.1.1]pent-1-yl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)acetic acid [ACD/IUPAC Name]
[3-(3-Methylbutyl)bicyclo[1.1.1]pent-1-yl]({[(2-methyl-2-propanyl)oxy]carbonyl}amino)essigsäure [German] [ACD/IUPAC Name]
Acide [3-(3-méthylbutyl)bicyclo[1.1.1]pent-1-yl]({[(2-méthyl-2-propanyl)oxy]carbonyl}amino)acétique [French] [ACD/IUPAC Name]
Bicyclo[1.1.1]pentane-1-acetic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-3-(3-methylbutyl)- [ACD/Index Name]
2-{[(tert-butoxy)carbonyl]amino}-2-[3-(3-methylbutyl)bicyclo[1.1.1]pentan-1-yl]acetic acid
2287271-58-1 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 432.3±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 215.3±24.0 °C
Index of Refraction: 1.526
Molar Refractivity: 83.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 0
ACD/LogP: 4.29
ACD/LogD (pH 5.5): 2.15
ACD/BCF (pH 5.5): 8.76
ACD/KOC (pH 5.5): 46.47
ACD/LogD (pH 7.4): 0.60
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.29
Polar Surface Area: 76 Å2
Polarizability: 33.1±0.5 10-24cm3
Surface Tension: 47.3±3.0 dyne/cm
Molar Volume: 271.8±3.0 cm3

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