ChemSpider 2D Image | 16-(1,3-Benzodioxol-5-yl)-3-hexadecen-2-one | C23H34O3

16-(1,3-Benzodioxol-5-yl)-3-hexadecen-2-one

  • Molecular FormulaC23H34O3
  • Average mass358.514 Da
  • Monoisotopic mass358.250793 Da
  • ChemSpider ID57556085

More details:

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

16-(1,3-Benzodioxol-5-yl)-3-hexadecen-2-on [German] [ACD/IUPAC Name]
16-(1,3-Benzodioxol-5-yl)-3-hexadecen-2-one [ACD/IUPAC Name]
16-(1,3-Benzodioxol-5-yl)-3-hexadécén-2-one [French] [ACD/IUPAC Name]
3-Hexadecen-2-one, 16-(1,3-benzodioxol-5-yl)- [ACD/Index Name]
16-(2H-1,3-Benzodioxol-5-yl)hexadec-3-en-2-one
828263-40-7 [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: 478.0±14.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.2±3.0 kJ/mol
Flash Point: 235.0±6.5 °C
Index of Refraction: 1.514
Molar Refractivity: 106.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 14
#Rule of 5 Violations: 1
ACD/LogP: 7.66
ACD/LogD (pH 5.5): 6.24
ACD/BCF (pH 5.5): 32613.20
ACD/KOC (pH 5.5): 59193.11
ACD/LogD (pH 7.4): 6.24
ACD/BCF (pH 7.4): 32613.20
ACD/KOC (pH 7.4): 59193.11
Polar Surface Area: 36 Å2
Polarizability: 42.4±0.5 10-24cm3
Surface Tension: 39.1±3.0 dyne/cm
Molar Volume: 355.3±3.0 cm3

Click to predict properties on the Chemicalize site


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