ChemSpider 2D Image | compound 10i | C22H34O5

compound 10i

  • Molecular FormulaC22H34O5
  • Average mass378.502 Da
  • Monoisotopic mass378.240631 Da
  • ChemSpider ID35034714

More details:

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

(3,5-Dihydroxy-2-nonanoylphényl)acétate de pentyle [French] [ACD/IUPAC Name]
1257228-26-4 [RN]
Benzeneacetic acid, 3,5-dihydroxy-2-(1-oxononyl)-, pentyl ester [ACD/Index Name]
compound 10i
Cytosporone A n-amyl ester
MFCD18632550
Pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate [ACD/IUPAC Name]
pentyl 2-(3,5-dihydroxy-2-nonanoylphenyl)acetate
Pentyl-(3,5-dihydroxy-2-nonanoylphenyl)acetat [German] [ACD/IUPAC Name]
(3,5-dihydroxy-2-nonanoyl-phenyl)-acetic acid pentyl ester
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.1±0.1 g/cm3
    Boiling Point: 517.3±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.4 mmHg at 25°C
    Enthalpy of Vaporization: 81.9±3.0 kJ/mol
    Flash Point: 170.4±17.8 °C
    Index of Refraction: 1.519
    Molar Refractivity: 107.0±0.3 cm3
    #H bond acceptors: 5
    #H bond donors: 2
    #Freely Rotating Bonds: 15
    #Rule of 5 Violations: 1
    ACD/LogP: 7.33
    ACD/LogD (pH 5.5): 7.34
    ACD/BCF (pH 5.5): 224091.42
    ACD/KOC (pH 5.5): 234183.06
    ACD/LogD (pH 7.4): 7.00
    ACD/BCF (pH 7.4): 101498.63
    ACD/KOC (pH 7.4): 106069.48
    Polar Surface Area: 84 Å2
    Polarizability: 42.4±0.5 10-24cm3
    Surface Tension: 42.9±3.0 dyne/cm
    Molar Volume: 352.2±3.0 cm3

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