ChemSpider 2D Image | 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}-1-butene-1,1-diol | C35H54O4S2

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}-1-butene-1,1-diol

  • Molecular FormulaC35H54O4S2
  • Average mass602.931 Da
  • Monoisotopic mass602.346375 Da
  • ChemSpider ID95796498

More details:

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

1-Butene-1,1-diol, 4-[4-[[1-[[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]thio]-1-methylethyl]thio]-2,6-bis(1,1-dimethylethyl)phenoxy]- [ACD/Index 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}-1-buten-1,1-diol [German] [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}-1-butene-1,1-diol [ACD/IUPAC Name]
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}-1-butène-1,1-diol [French] [ACD/IUPAC 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: 683.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.3±3.0 kJ/mol
Flash Point: 367.1±31.5 °C
Index of Refraction: 1.580
Molar Refractivity: 180.0±0.4 cm3
#H bond acceptors: 4
#H bond donors: 3
#Freely Rotating Bonds: 12
#Rule of 5 Violations: 2
ACD/LogP: 11.81
ACD/LogD (pH 5.5): 10.35
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 10.35
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 10000000.00
Polar Surface Area: 121 Å2
Polarizability: 71.4±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 541.1±5.0 cm3

Click to predict properties on the Chemicalize site


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