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Search term: 1076199-20-6 (Found by approved synonym)

ChemSpider 2D Image | Methyl 3-[(2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)oxy]benzoate | C21H33NO8

Methyl 3-[(2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)oxy]benzoate

  • Molecular FormulaC21H33NO8
  • Average mass427.489 Da
  • Monoisotopic mass427.220612 Da
  • ChemSpider ID21896574

More details:






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

1076199-20-6 [RN]
3-[(2,2-Diméthyl-4-oxo-3,8,11,14-tétraoxa-5-azahexadécan-16-yl)oxy]benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-[(15,15-dimethyl-13-oxo-3,6,9,14-tetraoxa-12-azahexadec-1-yl)oxy]-, methyl ester [ACD/Index Name]
Methyl 3-[(2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)oxy]benzoate [ACD/IUPAC Name]
Methyl-3-[(2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)oxy]benzoat [German] [ACD/IUPAC Name]
3-(11-Boc-amino-3,6,9-trioxaundecanoxy)benzoic Acid Methyl Ester
Methyl 3-((2,2-dimethyl-4-oxo-3,8,11,14-tetraoxa-5-azahexadecan-16-yl)oxy)benzoate
methyl 3-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
METHYL 3-{2-[2-(2-{2-[(TERT-BUTOXYCARBONYL)AMINO]ETHOXY}ETHOXY)ETHOXY]ETHOXY}BENZOATE

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 536.5±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.3±3.0 kJ/mol
    Flash Point: 278.3±30.1 °C
    Index of Refraction: 1.494
    Molar Refractivity: 110.9±0.3 cm3
    #H bond acceptors: 9
    #H bond donors: 1
    #Freely Rotating Bonds: 17
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 1.90
    ACD/BCF (pH 5.5): 16.52
    ACD/KOC (pH 5.5): 259.15
    ACD/LogD (pH 7.4): 1.90
    ACD/BCF (pH 7.4): 16.52
    ACD/KOC (pH 7.4): 259.15
    Polar Surface Area: 102 Å2
    Polarizability: 44.0±0.5 10-24cm3
    Surface Tension: 39.2±3.0 dyne/cm
    Molar Volume: 380.8±3.0 cm3

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