ChemSpider 2D Image | 3-(3-Methoxybutanoyl)-2,4,4-trimethyl-2-cyclohexen-1-yl acetate | C16H26O4

3-(3-Methoxybutanoyl)-2,4,4-trimethyl-2-cyclohexen-1-yl acetate

  • Molecular FormulaC16H26O4
  • Average mass282.375 Da
  • Monoisotopic mass282.183105 Da
  • ChemSpider ID22568540

More details:

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

1-Butanone, 1-[3-(acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methoxy- [ACD/Index Name]
3-(3-Methoxybutanoyl)-2,4,4-trimethyl-2-cyclohexen-1-yl acetate [ACD/IUPAC Name]
3-(3-Methoxybutanoyl)-2,4,4-trimethyl-2-cyclohexen-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de 3-(3-méthoxybutanoyl)-2,4,4-triméthyl-2-cyclohexén-1-yle [French] [ACD/IUPAC Name]
[3-(3-methoxybutanoyl)-2,4,4-trimethylcyclohex-2-en-1-yl] acetate
1-[3-(Acetyloxy)-2,6,6-trimethyl-1-cyclohexen-1-yl]-3-methoxy-1-butanone
3-(3-Methoxybutanoyl)-2,4,4-trimethylcyclohex-2-en-1-yl acetate
945426-70-0 [RN]

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 357.2±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 152.6±27.9 °C
    Index of Refraction: 1.474
    Molar Refractivity: 77.2±0.4 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 6
    #Rule of 5 Violations: 0
    ACD/LogP: 2.97
    ACD/LogD (pH 5.5): 3.36
    ACD/BCF (pH 5.5): 209.26
    ACD/KOC (pH 5.5): 1594.97
    ACD/LogD (pH 7.4): 3.36
    ACD/BCF (pH 7.4): 209.26
    ACD/KOC (pH 7.4): 1594.97
    Polar Surface Area: 53 Å2
    Polarizability: 30.6±0.5 10-24cm3
    Surface Tension: 34.3±5.0 dyne/cm
    Molar Volume: 274.6±5.0 cm3

    Click to predict properties on the Chemicalize site


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