ChemSpider 2D Image | Succinobucol | C35H52O5S2

Succinobucol

  • Molecular FormulaC35H52O5S2
  • Average mass616.914 Da
  • Monoisotopic mass616.325623 Da
  • ChemSpider ID187514

More details:

Featured data source
The Merck Index Online

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

216167-82-7 [RN]
4-[2,6-di-tert-butyl-4-({2-[(3,5-di-tert-butyl-4-hydroxyphenyl)sulfanyl]propan-2-yl}sulfanyl)phenoxy]-4-oxobutanoic acid
4-{4-[(2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-methyl-2-propanyl)phenoxy}-4-oxobutanoic acid [ACD/IUPAC Name]
4-{4-[(2-{[4-Hydroxy-3,5-bis(2-methyl-2-propanyl)phenyl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-methyl-2-propanyl)phenoxy}-4-oxobutansäure [German] [ACD/IUPAC Name]
Acide 4-{4-[(2-{[4-hydroxy-3,5-bis(2-méthyl-2-propanyl)phényl]sulfanyl}-2-propanyl)sulfanyl]-2,6-bis(2-méthyl-2-propanyl)phénoxy}-4-oxobutanoïque [French] [ACD/IUPAC Name]
Butanedioic acid 1-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl]ester
Butanedioic acid, mono[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenyl] ester [ACD/Index Name]
EJ9973300
J1J54V24R4
MFCD08690469
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

8496 [DBID]
AGI-1067 [DBID]
AGI 1067 [DBID]
AGZ-1067 [DBID]

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 659.5±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.1 mmHg at 25°C
    Enthalpy of Vaporization: 102.0±3.0 kJ/mol
    Flash Point: 352.7±31.5 °C
    Index of Refraction: 1.572
    Molar Refractivity: 179.0±0.4 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 13
    #Rule of 5 Violations: 2
    ACD/LogP: 10.34
    ACD/LogD (pH 5.5): 8.47
    ACD/BCF (pH 5.5): 811433.88
    ACD/KOC (pH 5.5): 260208.42
    ACD/LogD (pH 7.4): 6.69
    ACD/BCF (pH 7.4): 13349.54
    ACD/KOC (pH 7.4): 4280.90
    Polar Surface Area: 134 Å2
    Polarizability: 71.0±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 544.2±5.0 cm3

    Click to predict properties on the Chemicalize site


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