ChemSpider 2D Image | (5Z,9Z)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate | C22H36O3

(5Z,9Z)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate

  • Molecular FormulaC22H36O3
  • Average mass348.519 Da
  • Monoisotopic mass348.266449 Da
  • ChemSpider ID34980877

  • Double-bond stereo - Double-bond stereo

More details:

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

(5Z,9Z)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate [ACD/IUPAC Name]
(5Z,9Z)-12-Isopropyl-1,5,9-trimethyl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl-acetat [German] [ACD/IUPAC Name]
15-Oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol, 1,5,9-trimethyl-12-(1-methylethyl)-, acetate, (5Z,9Z)- [ACD/Index Name]
Acétate de (5Z,9Z)-12-isopropyl-1,5,9-triméthyl-15-oxabicyclo[10.2.1]pentadéca-5,9-dién-2-yle [French] [ACD/IUPAC Name]
[(5Z,9Z)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl] acetate
1,5,9-trimethyl-12-(propan-2-yl)-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-yl acetate
34701-53-6 [RN]
Incensole acetate
MFCD29904535

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

    Density: 1.0±0.1 g/cm3
    Boiling Point: 420.1±45.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.0 mmHg at 25°C
    Enthalpy of Vaporization: 67.4±3.0 kJ/mol
    Flash Point: 178.6±23.3 °C
    Index of Refraction: 1.499
    Molar Refractivity: 102.8±0.4 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 1
    ACD/LogP: 6.83
    ACD/LogD (pH 5.5): 6.46
    ACD/BCF (pH 5.5): 47519.96
    ACD/KOC (pH 5.5): 77497.97
    ACD/LogD (pH 7.4): 6.46
    ACD/BCF (pH 7.4): 47519.96
    ACD/KOC (pH 7.4): 77497.97
    Polar Surface Area: 36 Å2
    Polarizability: 40.7±0.5 10-24cm3
    Surface Tension: 35.5±5.0 dyne/cm
    Molar Volume: 349.9±5.0 cm3

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