ChemSpider 2D Image | 6-{[(4-Chlorophenyl)sulfonyl]methyl}-6-methyl-3-(tricyclo[3.3.1.1~3,7~]dec-2-ylidene)-1,2,4-trioxane | C21H25ClO5S

6-{[(4-Chlorophenyl)sulfonyl]methyl}-6-methyl-3-(tricyclo[3.3.1.13,7]dec-2-ylidene)-1,2,4-trioxane

  • Molecular FormulaC21H25ClO5S
  • Average mass424.938 Da
  • Monoisotopic mass424.111115 Da
  • ChemSpider ID23280279

  • Double-bond stereo - Double-bond stereo

More details:

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

1,2,4-Trioxane, 6-[[(4-chlorophenyl)sulfonyl]methyl]-6-methyl-3-tricyclo[3.3.1.13,7]dec-2-ylidene- [ACD/Index Name]
6-{[(4-Chlorophenyl)sulfonyl]methyl}-6-methyl-3-(tricyclo[3.3.1.13,7]dec-2-ylidene)-1,2,4-trioxane [ACD/IUPAC Name]
6-{[(4-Chlorophényl)sulfonyl]méthyl}-6-méthyl-3-(tricyclo[3.3.1.13,7]déc-2-ylidène)-1,2,4-trioxane [French] [ACD/IUPAC Name]
6-{[(4-Chlorphenyl)sulfonyl]methyl}-6-methyl-3-(tricyclo[3.3.1.13,7]dec-2-yliden)-1,2,4-trioxan [German] [ACD/IUPAC Name]
3-adamantan-2-ylidene-6-(4-chloro-benzenesulfonylmethyl)-6-methyl-[1,2,4]trioxane

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

Density: 1.3±0.1 g/cm3
Boiling Point: 565.7±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 81.8±3.0 kJ/mol
Flash Point: 295.9±30.1 °C
Index of Refraction: 1.580
Molar Refractivity: 106.3±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.14
ACD/LogD (pH 5.5): 4.70
ACD/BCF (pH 5.5): 2217.27
ACD/KOC (pH 5.5): 8640.40
ACD/LogD (pH 7.4): 4.70
ACD/BCF (pH 7.4): 2217.27
ACD/KOC (pH 7.4): 8640.40
Polar Surface Area: 70 Å2
Polarizability: 42.1±0.5 10-24cm3
Surface Tension: 46.1±3.0 dyne/cm
Molar Volume: 319.6±3.0 cm3

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