ChemSpider 2D Image | Methyl 4-[4-(mesitylmethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate | C31H37NO5

Methyl 4-[4-(mesitylmethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

  • Molecular FormulaC31H37NO5
  • Average mass503.629 Da
  • Monoisotopic mass503.267181 Da
  • ChemSpider ID3485534

More details:

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

3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[3-methoxy-4-[(2,4,6-trimethylphenyl)methoxy]phenyl]-2,7,7-trimethyl-5-oxo-, methyl ester [ACD/Index Name]
4-[4-(Mésitylméthoxy)-3-méthoxyphényl]-2,7,7-triméthyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinoléinecarboxylate de méthyle [French] [ACD/IUPAC Name]
Methyl 4-[4-(mesitylmethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate [ACD/IUPAC Name]
Methyl-4-[4-(mesitylmethoxy)-3-methoxyphenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-chinolincarboxylat [German] [ACD/IUPAC Name]
4-[3-Methoxy-4-(2,4,6-trimethyl-benzyloxy)-phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-quinoline-3-carboxylic acid methyl ester
438196-09-9 [RN]
AC1N7GCE
AGN-PC-094TFJ
AKOS003301743
CSJPYOAGVSIHGX-UHFFFAOYSA-N
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

AK-968/41017087 [DBID]

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

    Density: 1.2±0.1 g/cm3
    Boiling Point: 635.7±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 93.9±3.0 kJ/mol
    Flash Point: 338.3±31.5 °C
    Index of Refraction: 1.589
    Molar Refractivity: 143.3±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 1
    #Freely Rotating Bonds: 7
    #Rule of 5 Violations: 2
    ACD/LogP: 5.45
    ACD/LogD (pH 5.5): 5.74
    ACD/BCF (pH 5.5): 13448.20
    ACD/KOC (pH 5.5): 31396.38
    ACD/LogD (pH 7.4): 5.74
    ACD/BCF (pH 7.4): 13448.86
    ACD/KOC (pH 7.4): 31397.93
    Polar Surface Area: 74 Å2
    Polarizability: 56.8±0.5 10-24cm3
    Surface Tension: 48.9±5.0 dyne/cm
    Molar Volume: 425.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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