ChemSpider 2D Image | Methyl 6,6-bis[4-ethoxy-5-(ethoxycarbonyl)-3-methylphenyl]hex-5-enoate | C31H40O8

Methyl 6,6-bis[4-ethoxy-5-(ethoxycarbonyl)-3-methylphenyl]hex-5-enoate

  • Molecular FormulaC31H40O8
  • Average mass540.644 Da
  • Monoisotopic mass540.272339 Da
  • ChemSpider ID2278729

More details:

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

3,3'-(6-Méthoxy-6-oxo-1-hexène-1,1-diyl)bis(6-éthoxy-5-méthylbenzoate) de diéthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-(6-methoxy-6-oxo-1-hexen-1-ylidene)bis[6-ethoxy-5-methyl-, diethyl ester [ACD/Index Name]
Diethyl 3,3'-(6-methoxy-6-oxo-1-hexene-1,1-diyl)bis(6-ethoxy-5-methylbenzoate) [ACD/IUPAC Name]
diethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(6-ethoxy-5-methylbenzoate)
Diethyl-3,3'-(6-methoxy-6-oxo-1-hexen-1,1-diyl)bis(6-ethoxy-5-methylbenzoat) [German] [ACD/IUPAC Name]
Methyl 6,6-bis[4-ethoxy-5-(ethoxycarbonyl)-3-methylphenyl]hex-5-enoate
ethyl 2-ethoxy-5-[1-(4-ethoxy-3-ethyloxycarbonyl-5-methylphenyl)-5-methyloxycarbonyl-1-pentenyl]-3-methylbenzoate
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL323082/

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

AIDS210605 [DBID]
AIDS-210605 [DBID]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 647.5±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 95.5±3.0 kJ/mol
Flash Point: 269.1±31.5 °C
Index of Refraction: 1.528
Molar Refractivity: 150.6±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 17
#Rule of 5 Violations: 2
ACD/LogP: 10.19
ACD/LogD (pH 5.5): 7.82
ACD/BCF (pH 5.5): 519847.09
ACD/KOC (pH 5.5): 429531.59
ACD/LogD (pH 7.4): 7.82
ACD/BCF (pH 7.4): 519847.09
ACD/KOC (pH 7.4): 429531.59
Polar Surface Area: 97 Å2
Polarizability: 59.7±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 488.7±3.0 cm3

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