ChemSpider 2D Image | 3-({3-[4-Hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl ]propanoate | C73H108O12

3-({3-[4-Hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl ]propanoate

  • Molecular FormulaC73H108O12
  • Average mass1177.631 Da
  • Monoisotopic mass1176.784058 Da
  • ChemSpider ID8117320

More details:

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

3-({3-[4-Hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl 3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl ]propanoate [ACD/IUPAC Name]
3-({3-[4-Hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl]propanoyl}oxy)methyl]propyl-3-[4-hydroxy-2,6-bis(2-methyl-2-propanyl)phenyl ]propanoat [German] [ACD/IUPAC Name]
3-[4-Hydroxy-2,6-bis(2-méthyl-2-propanyl)phényl]propanoate de 3-({3-[4-hydroxy-2,6-bis(2-méthyl-2-propanyl)phényl]propanoyl}oxy)-2,2-bis[({3-[4-hydroxy-2,6-bis(2-méthyl-2-propanyl)phényl]propanoyl}oxy )méthyl]propyle [French] [ACD/IUPAC Name]
Benzenepropanoic acid, 2,6-bis(1,1-dimethylethyl)-4-hydroxy-, 3-[3-[2,6-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]-2,2-bis[[3-[2,6-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-1-oxopropoxy]methy l]propyl ester [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: 1041.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 157.6±3.0 kJ/mol
Flash Point: 258.8±26.4 °C
Index of Refraction: 1.535
Molar Refractivity: 340.4±0.3 cm3
#H bond acceptors: 12
#H bond donors: 4
#Freely Rotating Bonds: 32
#Rule of 5 Violations: 3
ACD/LogP: 18.89
ACD/LogD (pH 5.5): 17.53
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 17.52
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 186 Å2
Polarizability: 135.0±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 1093.2±3.0 cm3

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