ChemSpider 2D Image | (2R)-2-(Dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-4,6,8,10,12-pentadecapentaenoate | C30H48O4

(2R)-2-(Dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-4,6,8,10,12-pentadecapentaenoate

  • Molecular FormulaC30H48O4
  • Average mass472.700 Da
  • Monoisotopic mass472.355255 Da
  • ChemSpider ID35034218

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2R)-2-(Dodecanoyloxy)propyl (4E,6E,8E,10E,12E)-4,6,8,10,12-pentadecapentaenoate [ACD/IUPAC Name]
(2r)-2-(Dodecanoyloxy)propyl (4e,6e,8e,10e,12e)-Pentadeca-4,6,8,10,12-Pentaenoate
(2R)-2-(Dodecanoyloxy)propyl-(4E,6E,8E,10E,12E)-4,6,8,10,12-pentadecapentaenoat [German] [ACD/IUPAC Name]
(4E,6E,8E,10E,12E)-4,6,8,10,12-Pentadécapentaénoate de (2R)-2-(dodecanoyloxy)propyle [French] [ACD/IUPAC Name]
4,6,8,10,12-Pentadecapentaenoic acid, (2R)-2-[(1-oxododecyl)oxy]propyl ester, (4E,6E,8E,10E,12E)- [ACD/Index 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: 560.4±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 84.3±3.0 kJ/mol
Flash Point: 268.0±21.6 °C
Index of Refraction: 1.492
Molar Refractivity: 144.8±0.3 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 23
#Rule of 5 Violations: 1
ACD/LogP: 10.18
ACD/LogD (pH 5.5): 9.47
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 3382380.75
ACD/LogD (pH 7.4): 9.47
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3382380.75
Polar Surface Area: 53 Å2
Polarizability: 57.4±0.5 10-24cm3
Surface Tension: 34.4±3.0 dyne/cm
Molar Volume: 499.2±3.0 cm3

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