ChemSpider 2D Image | (2S)-3-[(4-Methoxybenzyl)oxy]-1,2-propanediyl bis(11-dodecenoate) | C35H56O6

(2S)-3-[(4-Methoxybenzyl)oxy]-1,2-propanediyl bis(11-dodecenoate)

  • Molecular FormulaC35H56O6
  • Average mass572.815 Da
  • Monoisotopic mass572.407715 Da
  • ChemSpider ID9299792

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(2S)-3-[(4-Methoxybenzyl)oxy]-1,2-propandiyl-bis(11-dodecenoat) [German] [ACD/IUPAC Name]
(2S)-3-[(4-Methoxybenzyl)oxy]-1,2-propanediyl bis(11-dodecenoate) [ACD/IUPAC Name]
11-Dodecenoic acid, (1S)-1-[[(4-methoxyphenyl)methoxy]methyl]-1,2-ethanediyl ester [ACD/Index Name]
Bis(11-dodécénoate) de (2S)-3-[(4-méthoxybenzyl)oxy]-1,2-propanediyle [French] [ACD/IUPAC Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 629.2±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 93.1±3.0 kJ/mol
Flash Point: 255.2±30.2 °C
Index of Refraction: 1.491
Molar Refractivity: 167.6±0.3 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 30
#Rule of 5 Violations: 2
ACD/LogP: 11.69
ACD/LogD (pH 5.5): 10.24
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 8907555.00
ACD/LogD (pH 7.4): 10.24
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 8907555.00
Polar Surface Area: 71 Å2
Polarizability: 66.5±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 579.3±3.0 cm3

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