ChemSpider 2D Image | (3Z,6Z,9Z)-3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-1(21),3,6,9,18(22)-pentaen-12-yn-20-one | C22H26O3

(3Z,6Z,9Z)-3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-1(21),3,6,9,18(22)-pentaen-12-yn-20-one

  • Molecular FormulaC22H26O3
  • Average mass338.440 Da
  • Monoisotopic mass338.188202 Da
  • ChemSpider ID44210859

  • Double-bond stereo - Double-bond stereo

More details:

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

(3Z,6Z,9Z)-3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-1(21),3,6,9,18(22)-pentaen-12-in-20-on [German] [ACD/IUPAC Name]
(3Z,6Z,9Z)-3-Ethyl-2,19-dioxabicyclo[16.3.1]docosa-1(21),3,6,9,18(22)-pentaen-12-yn-20-one [ACD/IUPAC Name]
(3Z,6Z,9Z)-3-Éthyl-2,19-dioxabicyclo[16.3.1]docosa-1(21),3,6,9,18(22)-pentaén-12-yn-20-one [French] [ACD/IUPAC Name]
2,19-Dioxabicyclo[16.3.1]docosa-3,6,9,18(22),21-pentaen-12-yn-20-one, 3-ethyl-, (3Z,6Z,9Z)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 525.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 80.0±3.0 kJ/mol
Flash Point: 228.4±24.7 °C
Index of Refraction: 1.558
Molar Refractivity: 100.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.75
ACD/LogD (pH 5.5): 4.78
ACD/BCF (pH 5.5): 2504.68
ACD/KOC (pH 5.5): 9428.06
ACD/LogD (pH 7.4): 4.78
ACD/BCF (pH 7.4): 2504.68
ACD/KOC (pH 7.4): 9428.06
Polar Surface Area: 36 Å2
Polarizability: 39.8±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 311.0±5.0 cm3

Click to predict properties on the Chemicalize site


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