ChemSpider 2D Image | Bis(2-methyl-2-propanyl) (1S,2S,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate | C25H36O8

Bis(2-methyl-2-propanyl) (1S,2S,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate

  • Molecular FormulaC25H36O8
  • Average mass464.548 Da
  • Monoisotopic mass464.241028 Da
  • ChemSpider ID62407024

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,3R,4R)-2-(3-Éthoxy-4-hydroxyphényl)-4-hydroxy-4-méthyl-6-oxo-1,3-cyclohexanedicarboxylate de bis(2-méthyl-2-propanyle) [French] [ACD/IUPAC Name]
1,3-Cyclohexanedicarboxylic acid, 2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-, bis(1,1-dimethylethyl) ester, (1S,2S,3R,4R)- [ACD/Index Name]
Bis(2-methyl-2-propanyl) (1S,2S,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexanedicarboxylate [ACD/IUPAC Name]
Bis(2-methyl-2-propanyl)-(1S,2S,3R,4R)-2-(3-ethoxy-4-hydroxyphenyl)-4-hydroxy-4-methyl-6-oxo-1,3-cyclohexandicarboxylat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 578.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 91.1±3.0 kJ/mol
Flash Point: 186.3±23.6 °C
Index of Refraction: 1.525
Molar Refractivity: 121.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 9
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 3.69
ACD/BCF (pH 5.5): 376.59
ACD/KOC (pH 5.5): 2428.81
ACD/LogD (pH 7.4): 3.69
ACD/BCF (pH 7.4): 372.10
ACD/KOC (pH 7.4): 2399.84
Polar Surface Area: 119 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 45.0±3.0 dyne/cm
Molar Volume: 395.8±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement