ChemSpider 2D Image | 4,4'-[(5-Butyryl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene)]bis(2-butyryl-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one) | C36H44O12

4,4'-[(5-Butyryl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene)]bis(2-butyryl-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one)

  • Molecular FormulaC36H44O12
  • Average mass668.727 Da
  • Monoisotopic mass668.283264 Da
  • ChemSpider ID170653

More details:

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

2,4-Cyclohexadien-1-one, 4,4'-[[2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene]bis(methylene)]bis[3,5-dihydroxy-6,6-dimethyl-2-(1-oxobutyl)- [ACD/Index Name]
4,4'-[(5-Butyryl-2,4,6-trihydroxy-1,3-phenylen)dimethylen]bis(2-butyryl-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-on) [German] [ACD/IUPAC Name]
4,4'-[(5-Butyryl-2,4,6-trihydroxy-1,3-phenylene)bis(methylene)]bis(2-butyryl-3,5-dihydroxy-6,6-dimethyl-2,4-cyclohexadien-1-one) [ACD/IUPAC Name]
4,4'-[(5-Butyryl-2,4,6-trihydroxy-1,3-phénylène)diméthylène]bis(2-butyryl-3,5-dihydroxy-6,6-diméthyl-2,4-cyclohexadién-1-one) [French] [ACD/IUPAC Name]
11041-32-0 [RN]
1391-56-6 [RN]
2,2'-((2,4,6-Trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)cyclohexa-2,5-dien-1-one
2,5-Cyclohexadien-1-one, 2,2'-((2,4,6-trihydroxy-5-(1-oxobutyl)-1,3-phenylene)bis(methylene))bis(3,5-dihydroxy-4,4-dimethyl-6-(1-oxobutyl)-
2-BUTANOYL-4-({3-BUTANOYL-5-[(5-BUTANOYL-2,6-DIHYDROXY-3,3-DIMETHYL-4-OXOCYCLOHEXA-1,5-DIEN-1-YL)METHYL]-2,4,6-TRIHYDROXYPHENYL}METHYL)-3,5-DIHYDROXY-6,6-DIMETHYLCYCLOHEXA-2,4-DIEN-1-ONE
BBB
More...

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

C10693 [DBID]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 836.5±65.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.2 mmHg at 25°C
Enthalpy of Vaporization: 127.4±3.0 kJ/mol
Flash Point: 473.5±30.8 °C
Index of Refraction: 1.635
Molar Refractivity: 172.9±0.3 cm3
#H bond acceptors: 12
#H bond donors: 7
#Freely Rotating Bonds: 13
#Rule of 5 Violations: 4
ACD/LogP: 5.50
ACD/LogD (pH 5.5): 2.59
ACD/BCF (pH 5.5): 18.85
ACD/KOC (pH 5.5): 81.27
ACD/LogD (pH 7.4): 0.48
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 227 Å2
Polarizability: 68.6±0.5 10-24cm3
Surface Tension: 69.6±3.0 dyne/cm
Molar Volume: 483.3±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement