ChemSpider 2D Image | knightol acetate | C22H34O3

knightol acetate

  • Molecular FormulaC22H34O3
  • Average mass346.504 Da
  • Monoisotopic mass346.250793 Da
  • ChemSpider ID24679420

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

[(1R,4E,7S,10E,14R)-7-Isopropenyl-10,14-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl acetate [ACD/IUPAC Name]
[(1R,4E,7S,10E,14R)-7-Isopropenyl-10,14-dimethyl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-4-yl]methyl-acetat [German] [ACD/IUPAC Name]
15-Oxabicyclo[12.1.0]pentadeca-4,10-diene-4-methanol, 10,14-dimethyl-7-(1-methylethenyl)-, acetate, (1R,4E,7S,10E,14R)- [ACD/Index Name]
Acétate de [(1R,4E,7S,10E,14R)-7-isopropényl-10,14-diméthyl-15-oxabicyclo[12.1.0]pentadéca-4,10-dién-4-yl]méthyle [French] [ACD/IUPAC Name]
knightol acetate

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

Density: 1.0±0.1 g/cm3
Boiling Point: 434.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 165.2±13.6 °C
Index of Refraction: 1.480
Molar Refractivity: 101.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 1
ACD/LogP: 6.27
ACD/LogD (pH 5.5): 5.94
ACD/BCF (pH 5.5): 19147.27
ACD/KOC (pH 5.5): 40431.38
ACD/LogD (pH 7.4): 5.94
ACD/BCF (pH 7.4): 19147.27
ACD/KOC (pH 7.4): 40431.38
Polar Surface Area: 39 Å2
Polarizability: 40.4±0.5 10-24cm3
Surface Tension: 30.6±3.0 dyne/cm
Molar Volume: 358.6±3.0 cm3

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