Found 90 results

Search term: MF = 'C_{31}H_{52}O_{5}'
ChemSpider 2D Image | 1,1'-(2,4,6-Trihydroxy-5-methyl-1,3-phenylene)di(1-dodecanone) | C31H52O5

1,1'-(2,4,6-Trihydroxy-5-methyl-1,3-phenylene)di(1-dodecanone)

  • Molecular FormulaC31H52O5
  • Average mass504.742 Da
  • Monoisotopic mass504.381470 Da
  • ChemSpider ID24702284

More details:

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

1,1'-(2,4,6-Trihydroxy-5-methyl-1,3-phenylen)di(1-dodecanon) [German] [ACD/IUPAC Name]
1,1'-(2,4,6-Trihydroxy-5-methyl-1,3-phenylene)di(1-dodecanone) [ACD/IUPAC Name]
1,1'-(2,4,6-Trihydroxy-5-méthyl-1,3-phénylène)di(1-dodécanone) [French] [ACD/IUPAC Name]
1-Dodecanone, 1,1'-(2,4,6-trihydroxy-5-methyl-1,3-phenylene)bis- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485601/

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

Density: 1.0±0.1 g/cm3
Boiling Point: 614.9±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 94.6±3.0 kJ/mol
Flash Point: 339.7±28.0 °C
Index of Refraction: 1.517
Molar Refractivity: 149.4±0.3 cm3
#H bond acceptors: 5
#H bond donors: 3
#Freely Rotating Bonds: 22
#Rule of 5 Violations: 2
ACD/LogP: 15.49
ACD/LogD (pH 5.5): 13.94
ACD/BCF (pH 5.5): 1000000.00
ACD/KOC (pH 5.5): 10000000.00
ACD/LogD (pH 7.4): 11.71
ACD/BCF (pH 7.4): 1000000.00
ACD/KOC (pH 7.4): 3826513.50
Polar Surface Area: 95 Å2
Polarizability: 59.2±0.5 10-24cm3
Surface Tension: 41.7±3.0 dyne/cm
Molar Volume: 494.2±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement