ChemSpider 2D Image | 2-[(4Z,8Z,13S)-5,9-Dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]-2-propanyl acetate | C22H32O4

2-[(4Z,8Z,13S)-5,9-Dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]-2-propanyl acetate

  • Molecular FormulaC22H32O4
  • Average mass360.487 Da
  • Monoisotopic mass360.230072 Da
  • ChemSpider ID58134270
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 1 of 2 defined stereocentres


More details:






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

14-Oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-15-one, 12-[1-(acetyloxy)-1-methylethyl]-5,9-dimethyl-, (4Z,8Z,13S)- [ACD/Index Name]
2-[(4Z,8Z,13S)-5,9-Dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]-2-propanyl acetate [ACD/IUPAC Name]
2-[(4Z,8Z,13S)-5,9-Dimethyl-15-oxo-14-oxabicyclo[11.2.1]hexadeca-1(16),4,8-trien-12-yl]-2-propanyl-acetat [German] [ACD/IUPAC Name]
Acétate de 2-[(4Z,8Z,13S)-5,9-diméthyl-15-oxo-14-oxabicyclo[11.2.1]hexadéca-1(16),4,8-trién-12-yl]-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 502.4±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 77.1±3.0 kJ/mol
Flash Point: 248.6±28.5 °C
Index of Refraction: 1.516
Molar Refractivity: 102.6±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.61
ACD/LogD (pH 5.5): 5.39
ACD/BCF (pH 5.5): 7394.29
ACD/KOC (pH 5.5): 20461.97
ACD/LogD (pH 7.4): 5.39
ACD/BCF (pH 7.4): 7394.29
ACD/KOC (pH 7.4): 20461.97
Polar Surface Area: 53 Å2
Polarizability: 40.7±0.5 10-24cm3
Surface Tension: 38.7±5.0 dyne/cm
Molar Volume: 339.6±5.0 cm3

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