ChemSpider 2D Image | (1S,7R,10R,11S,14R)-7-(3-Chloro-1-propen-2-yl)-14-hydroxy-10,14-dimethyl-2,16-dioxatricyclo[9.4.1.1~1,4~]heptadec-4(17)-ene-3,9,12-trione | C20H25ClO6

(1S,7R,10R,11S,14R)-7-(3-Chloro-1-propen-2-yl)-14-hydroxy-10,14-dimethyl-2,16-dioxatricyclo[9.4.1.11,4]heptadec-4(17)-ene-3,9,12-trione

  • Molecular FormulaC20H25ClO6
  • Average mass396.862 Da
  • Monoisotopic mass396.133972 Da
  • ChemSpider ID64853496

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S,7R,10R,11S,14R)-7-(3-Chlor-1-propen-2-yl)-14-hydroxy-10,14-dimethyl-2,16-dioxatricyclo[9.4.1.11,4]heptadec-4(17)-en-3,9,12-trion [German] [ACD/IUPAC Name]
(1S,7R,10R,11S,14R)-7-(3-Chloro-1-propen-2-yl)-14-hydroxy-10,14-dimethyl-2,16-dioxatricyclo[9.4.1.11,4]heptadec-4(17)-ene-3,9,12-trione [ACD/IUPAC Name]
(1S,7R,10R,11S,14R)-7-(3-Chloro-1-propén-2-yl)-14-hydroxy-10,14-diméthyl-2,16-dioxatricyclo[9.4.1.11,4]heptadéc-4(17)-ène-3,9,12-trione [French] [ACD/IUPAC Name]
2,16-Dioxatricyclo[9.4.1.11,4]heptadec-4(17)-ene-3,9,12-trione, 7-[1-(chloromethyl)ethenyl]-14-hydroxy-10,14-dimethyl-, (1S,7R,10R,11S,14R)- [ACD/Index Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 650.0±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±4.4 mmHg at 25°C
Enthalpy of Vaporization: 109.7±6.0 kJ/mol
Flash Point: 346.9±31.5 °C
Index of Refraction: 1.558
Molar Refractivity: 97.9±0.4 cm3
#H bond acceptors: 6
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.16
ACD/LogD (pH 5.5): 1.45
ACD/BCF (pH 5.5): 7.45
ACD/KOC (pH 5.5): 146.49
ACD/LogD (pH 7.4): 1.45
ACD/BCF (pH 7.4): 7.45
ACD/KOC (pH 7.4): 146.49
Polar Surface Area: 90 Å2
Polarizability: 38.8±0.5 10-24cm3
Surface Tension: 50.7±5.0 dyne/cm
Molar Volume: 303.7±5.0 cm3

Click to predict properties on the Chemicalize site


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