ChemSpider 2D Image | 4-[Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-2-methoxyphenyl 2-furoate | C29H32O8

4-[Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-2-methoxyphenyl 2-furoate

  • Molecular FormulaC29H32O8
  • Average mass508.560 Da
  • Monoisotopic mass508.209717 Da
  • ChemSpider ID12814272

More details:

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

2-Furancarboxylic acid, 4-[bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-2-methoxyphenyl ester [ACD/Index Name]
2-Furoate de 4-[bis(2-hydroxy-4,4-diméthyl-6-oxo-1-cyclohexén-1-yl)méthyl]-2-méthoxyphényle [French] [ACD/IUPAC Name]
4-[Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-2-methoxyphenyl 2-furoate [ACD/IUPAC Name]
4-[Bis(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-2-methoxyphenyl-2-furoat [German] [ACD/IUPAC Name]
4-[bis(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-2-methoxyphenyl 2-furoate

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

Density: 1.3±0.1 g/cm3
Boiling Point: 687.4±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 105.8±3.0 kJ/mol
Flash Point: 369.5±31.5 °C
Index of Refraction: 1.592
Molar Refractivity: 134.4±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 4.77
ACD/LogD (pH 5.5): 2.40
ACD/BCF (pH 5.5): 15.01
ACD/KOC (pH 5.5): 77.48
ACD/LogD (pH 7.4): -0.30
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 123 Å2
Polarizability: 53.3±0.5 10-24cm3
Surface Tension: 53.2±3.0 dyne/cm
Molar Volume: 397.1±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement