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Search term: QAPGHVKEZAJDSR (Found by InChIKey (skeleton match))
ChemSpider 2D Image | 2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzoate | C33H36O6

2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzoate

  • Molecular FormulaC33H36O6
  • Average mass528.635 Da
  • Monoisotopic mass528.251160 Da
  • ChemSpider ID3185308

More details:

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

2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-methylbenzoate [ACD/IUPAC Name]
2-Ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl-4-methylbenzoat [German] [ACD/IUPAC Name]
4-Méthylbenzoate de 2-éthoxy-4-(3,3,6,6-tétraméthyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthén-9-yl)phényle [French] [ACD/IUPAC Name]
Benzoic acid, 4-methyl-, 2-ethoxy-4-(2,3,4,5,6,7,8,9-octahydro-3,3,6,6-tetramethyl-1,8-dioxo-1H-xanthen-9-yl)phenyl ester [ACD/Index Name]
[2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenyl] 4-methylbenzoate
4-Methyl-benzoic acid 2-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-phenyl ester
684238-28-6 [RN]

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

UNM000000680101 [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: 698.4±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.2 mmHg at 25°C
    Enthalpy of Vaporization: 102.3±3.0 kJ/mol
    Flash Point: 292.1±31.5 °C
    Index of Refraction: 1.601
    Molar Refractivity: 147.0±0.4 cm3
    #H bond acceptors: 6
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 2
    ACD/LogP: 6.45
    ACD/LogD (pH 5.5): 6.46
    ACD/BCF (pH 5.5): 47676.11
    ACD/KOC (pH 5.5): 77680.20
    ACD/LogD (pH 7.4): 6.46
    ACD/BCF (pH 7.4): 47676.11
    ACD/KOC (pH 7.4): 77680.20
    Polar Surface Area: 79 Å2
    Polarizability: 58.3±0.5 10-24cm3
    Surface Tension: 51.9±5.0 dyne/cm
    Molar Volume: 429.4±5.0 cm3

    Click to predict properties on the Chemicalize site


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