Found 16 results

Search term: MF = 'C_{44}H_{87}NO_{5}'
ChemSpider 2D Image | Undecyl 7-{[6-(9-heptadecanyloxy)-6-oxohexyl](3-hydroxypropyl)amino}heptanoate | C44H87NO5

Undecyl 7-{[6-(9-heptadecanyloxy)-6-oxohexyl](3-hydroxypropyl)amino}heptanoate

  • Molecular FormulaC44H87NO5
  • Average mass710.165 Da
  • Monoisotopic mass709.658447 Da
  • ChemSpider ID129307689

More details:

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

7-{[6-(9-Heptadécanyloxy)-6-oxohexyl](3-hydroxypropyl)amino}heptanoate d'undécyle [French] [ACD/IUPAC Name]
Heptanoic acid, 7-[(3-hydroxypropyl)[6-[(1-octylnonyl)oxy]-6-oxohexyl]amino]-, undecyl ester [ACD/Index Name]
Undecyl 7-{[6-(9-heptadecanyloxy)-6-oxohexyl](3-hydroxypropyl)amino}heptanoate [ACD/IUPAC Name]
Undecyl-7-{[6-(9-heptadecanyloxy)-6-oxohexyl](3-hydroxypropyl)amino}heptanoat [German] [ACD/IUPAC Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 725.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±5.3 mmHg at 25°C
Enthalpy of Vaporization: 121.0±6.0 kJ/mol
Flash Point: 392.8±30.1 °C
Index of Refraction: 1.472
Molar Refractivity: 214.7±0.3 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 43
#Rule of 5 Violations: 2
ACD/LogP: 15.70
ACD/LogD (pH 5.5): 12.18
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 4242782.00
ACD/LogD (pH 7.4): 13.33
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 76 Å2
Polarizability: 85.1±0.5 10-24cm3
Surface Tension: 35.5±3.0 dyne/cm
Molar Volume: 766.9±3.0 cm3

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