ChemSpider 2D Image | 6'-Butyl-10'-methyl-4-(2-methyl-2-propanyl)-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione | C26H34O4

6'-Butyl-10'-methyl-4-(2-methyl-2-propanyl)-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione

  • Molecular FormulaC26H34O4
  • Average mass410.546 Da
  • Monoisotopic mass410.245697 Da
  • ChemSpider ID31040135

More details:

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

6'-Butyl-10'-methyl-4-(2-methyl-2-propanyl)-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione [ACD/IUPAC Name]
Spiro[2H,8H-benzo[1,2-b:5,4-b']dipyran-2,1'-cyclohexane]-4,8(3H)-dione, 6-butyl-4'-(1,1-dimethylethyl)-10-methyl- [ACD/Index Name]
1014412-72-6 [RN]
4-(tert-butyl)-6'-butyl-10'-methyl-3'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'-dione
6'-butyl-4-tert-butyl-10'-methyl-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g]chromene]-4',8'(3'H)-dione

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

    Density: 1.1±0.1 g/cm3
    Boiling Point: 571.2±50.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.6 mmHg at 25°C
    Enthalpy of Vaporization: 85.7±3.0 kJ/mol
    Flash Point: 245.1±30.2 °C
    Index of Refraction: 1.563
    Molar Refractivity: 116.6±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 1
    ACD/LogP: 8.08
    ACD/LogD (pH 5.5): 7.17
    ACD/BCF (pH 5.5): 165656.41
    ACD/KOC (pH 5.5): 189446.17
    ACD/LogD (pH 7.4): 7.17
    ACD/BCF (pH 7.4): 165656.41
    ACD/KOC (pH 7.4): 189446.17
    Polar Surface Area: 53 Å2
    Polarizability: 46.2±0.5 10-24cm3
    Surface Tension: 46.1±5.0 dyne/cm
    Molar Volume: 358.8±5.0 cm3

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