ChemSpider 2D Image | [(1S,3E,11R,12S,16R)-1-Hydroxy-3,7-dimethyl-15-methylene-14-oxo-13,17-dioxatricyclo[9.5.1.1~12,16~]octadeca-3,7-dien-11-yl]methyl acetate | C22H30O6

[(1S,3E,11R,12S,16R)-1-Hydroxy-3,7-dimethyl-15-methylene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate

  • Molecular FormulaC22H30O6
  • Average mass390.470 Da
  • Monoisotopic mass390.204254 Da
  • ChemSpider ID28501669

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 4 of 4 defined stereocentres

More details:

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

[(1S,3E,11R,12S,16R)-1-Hydroxy-3,7-dimethyl-15-methylen-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl-acetat [German] [ACD/IUPAC Name]
[(1S,3E,11R,12S,16R)-1-Hydroxy-3,7-dimethyl-15-methylene-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-11-yl]methyl acetate [ACD/IUPAC Name]
13,17-Dioxatricyclo[9.5.1.112,16]octadeca-3,7-dien-14-one, 11-[(acetyloxy)methyl]-1-hydroxy-3,7-dimethyl-15-methylene-, (1S,3E,11R,12S,16R)- [ACD/Index Name]
Acétate de [(1S,3E,11R,12S,16R)-1-hydroxy-3,7-diméthyl-15-méthylène-14-oxo-13,17-dioxatricyclo[9.5.1.112,16]octadéca-3,7-dién-11-yl]méthyle [French] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 557.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.4 mmHg at 25°C
Enthalpy of Vaporization: 96.5±6.0 kJ/mol
Flash Point: 190.3±23.6 °C
Index of Refraction: 1.548
Molar Refractivity: 103.7±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.79
ACD/LogD (pH 5.5): 4.29
ACD/BCF (pH 5.5): 1080.58
ACD/KOC (pH 5.5): 5165.26
ACD/LogD (pH 7.4): 4.29
ACD/BCF (pH 7.4): 1080.53
ACD/KOC (pH 7.4): 5164.99
Polar Surface Area: 82 Å2
Polarizability: 41.1±0.5 10-24cm3
Surface Tension: 46.6±5.0 dyne/cm
Molar Volume: 326.5±5.0 cm3

Click to predict properties on the Chemicalize site


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