ChemSpider 2D Image | 3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl 3,4-dihydroxy-2-methylenebutanoate | C21H30O8

3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl 3,4-dihydroxy-2-methylenebutanoate

  • Molecular FormulaC21H30O8
  • Average mass410.458 Da
  • Monoisotopic mass410.194061 Da
  • ChemSpider ID22936715

More details:

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

3,4-Dihydroxy-2-méthylènebutanoate de 3-hydroxy-4-(3-hydroxy-1-propén-2-yl)-2-(3-méthoxy-3-oxo-1-propén-2-yl)-5-méthyl-5-vinylcyclohexyle [French] [ACD/IUPAC Name]
3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl 3,4-dihydroxy-2-methylenebutanoate [ACD/IUPAC Name]
3-Hydroxy-4-(3-hydroxy-1-propen-2-yl)-2-(3-methoxy-3-oxo-1-propen-2-yl)-5-methyl-5-vinylcyclohexyl-3,4-dihydroxy-2-methylenbutanoat [German] [ACD/IUPAC Name]
Cyclohexaneacetic acid, 6-(3,4-dihydroxy-2-methylene-1-oxobutoxy)-4-ethenyl-2-hydroxy-3-[1-(hydroxymethyl)ethenyl]-4-methyl-α-methylene-, methyl ester [ACD/Index 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: 561.1±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.5 mmHg at 25°C
Enthalpy of Vaporization: 97.0±6.0 kJ/mol
Flash Point: 188.4±23.6 °C
Index of Refraction: 1.543
Molar Refractivity: 105.4±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 11
#Rule of 5 Violations: 0
ACD/LogP: 2.07
ACD/LogD (pH 5.5): 1.67
ACD/BCF (pH 5.5): 10.88
ACD/KOC (pH 5.5): 192.09
ACD/LogD (pH 7.4): 1.67
ACD/BCF (pH 7.4): 10.88
ACD/KOC (pH 7.4): 192.09
Polar Surface Area: 134 Å2
Polarizability: 41.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 334.4±5.0 cm3

Click to predict properties on the Chemicalize site


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