ChemSpider 2D Image | (2S)-8-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid | C14H23NO5

(2S)-8-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid

  • Molecular FormulaC14H23NO5
  • Average mass285.336 Da
  • Monoisotopic mass285.157623 Da
  • ChemSpider ID113057429

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-8-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]decan-2-carbonsäure [German] [ACD/IUPAC Name]
(2S)-8-{[(2-Methyl-2-propanyl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]decane-2-carboxylic acid [ACD/IUPAC Name]
1-Oxa-8-azaspiro[4.5]decane-2,8-dicarboxylic acid, 8-(1,1-dimethylethyl) ester, (2S)- [ACD/Index Name]
Acide (2S)-8-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-oxa-8-azaspiro[4.5]décane-2-carboxylique [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 435.0±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±6.0 kJ/mol
Flash Point: 216.9±28.7 °C
Index of Refraction: 1.527
Molar Refractivity: 71.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.74
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.62
ACD/LogD (pH 7.4): -1.77
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 76 Å2
Polarizability: 28.5±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 233.9±5.0 cm3

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