ChemSpider 2D Image | (3R)-1-Oxo-1-(2-oxo-2-phenylethoxy)-3-decanyl (3R)-3-[(4-oxopentanoyl)oxy]decanoate | C33H50O8

(3R)-1-Oxo-1-(2-oxo-2-phenylethoxy)-3-decanyl (3R)-3-[(4-oxopentanoyl)oxy]decanoate

  • Molecular FormulaC33H50O8
  • Average mass574.745 Da
  • Monoisotopic mass574.350586 Da
  • ChemSpider ID8778597

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(3R)-1-Oxo-1-(2-oxo-2-phenylethoxy)-3-decanyl (3R)-3-[(4-oxopentanoyl)oxy]decanoate [ACD/IUPAC Name]
(3R)-1-Oxo-1-(2-oxo-2-phenylethoxy)-3-decanyl-(3R)-3-[(4-oxopentanoyl)oxy]decanoat [German] [ACD/IUPAC Name]
(3R)-3-[(4-Oxopentanoyl)oxy]décanoate de (3R)-1-oxo-1-(2-oxo-2-phényléthoxy)-3-décanyle [French] [ACD/IUPAC Name]
Decanoic acid, 3-[(1,4-dioxopentyl)oxy]-, (1R)-1-[2-oxo-2-(2-oxo-2-phenylethoxy)ethyl]octyl ester, (3R)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 601.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.4±3.0 kJ/mol
Flash Point: 244.9±27.4 °C
Index of Refraction: 1.493
Molar Refractivity: 157.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 27
#Rule of 5 Violations: 2
ACD/LogP: 8.95
ACD/LogD (pH 5.5): 8.63
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 1177111.13
ACD/LogD (pH 7.4): 8.63
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 1177111.13
Polar Surface Area: 113 Å2
Polarizability: 62.4±0.5 10-24cm3
Surface Tension: 39.8±3.0 dyne/cm
Molar Volume: 542.0±3.0 cm3

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