ChemSpider 2D Image | Methylethyl 6,6-bis[3-methyl-4-methoxy-5-(methoxycarbonyl)phenyl]hex-5-enoate | C29H36O8

Methylethyl 6,6-bis[3-methyl-4-methoxy-5-(methoxycarbonyl)phenyl]hex-5-enoate

  • Molecular FormulaC29H36O8
  • Average mass512.591 Da
  • Monoisotopic mass512.241028 Da
  • ChemSpider ID439403

More details:

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

3,3'-(6-Isopropoxy-6-oxo-1-hexène-1,1-diyl)bis(6-méthoxy-5-méthylbenzoate) de diméthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3,3'-[6-(1-methylethoxy)-6-oxo-1-hexen-1-ylidene]bis[6-methoxy-5-methyl-, dimethyl ester [ACD/Index Name]
Dimethyl 3,3'-(6-isopropoxy-6-oxo-1-hexene-1,1-diyl)bis(6-methoxy-5-methylbenzoate) [ACD/IUPAC Name]
dimethyl 3,3'-[6-oxo-6-(propan-2-yloxy)hex-1-ene-1,1-diyl]bis(6-methoxy-5-methylbenzoate)
Dimethyl-3,3'-(6-isopropoxy-6-oxo-1-hexen-1,1-diyl)bis(6-methoxy-5-methylbenzoat) [German] [ACD/IUPAC Name]
Methylethyl 6,6-bis[3-methyl-4-methoxy-5-(methoxycarbonyl)phenyl]hex-5-enoate
Alkenyldiarylmethanes (ADAM) 26a
Isopropyl 3',3''-Dimethyl-4',4''-dimethoxy-5',5''-bis(methoxy-carbonyl)-6,6-diphenylhexenoate
isopropyl 6,6-di(4-methoxy-3-methyl-5-methyloxycarbonylphenyl)-5-hexenoate

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

AIDS165209 [DBID]
AIDS-165209 [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: 624.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.5±3.0 kJ/mol
Flash Point: 261.8±31.5 °C
Index of Refraction: 1.532
Molar Refractivity: 141.3±0.3 cm3
#H bond acceptors: 8
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 2
ACD/LogP: 8.94
ACD/LogD (pH 5.5): 6.92
ACD/BCF (pH 5.5): 107425.16
ACD/KOC (pH 5.5): 138945.41
ACD/LogD (pH 7.4): 6.92
ACD/BCF (pH 7.4): 107425.16
ACD/KOC (pH 7.4): 138945.41
Polar Surface Area: 97 Å2
Polarizability: 56.0±0.5 10-24cm3
Surface Tension: 39.6±3.0 dyne/cm
Molar Volume: 456.1±3.0 cm3

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