ChemSpider 2D Image | (2R,4R,5S,7S,9S,13R,14R)-7-Methyl-12-methylene-3,6,10,15-tetraoxapentacyclo[12.2.1.0~2,4~.0~5,7~.0~9,13~]heptadec-1(17)-ene-11,16-dione | C15H14O6

(2R,4R,5S,7S,9S,13R,14R)-7-Methyl-12-methylene-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione

  • Molecular FormulaC15H14O6
  • Average mass290.268 Da
  • Monoisotopic mass290.079041 Da
  • ChemSpider ID30652410

  • defined stereocentres - 6 of 7 defined stereocentres

More details:

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

(2R,4R,5S,7S,9S,13R,14R)-7-Methyl-12-methylen-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-en-11,16-dion [German] [ACD/IUPAC Name]
(2R,4R,5S,7S,9S,13R,14R)-7-Methyl-12-methylene-3,6,10,15-tetraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadec-1(17)-ene-11,16-dione [ACD/IUPAC Name]
(2R,4R,5S,7S,9S,13R,14R)-7-Méthyl-12-méthylène-3,6,10,15-tétraoxapentacyclo[12.2.1.02,4.05,7.09,13]heptadéc-1(17)-ène-11,16-dione [French] [ACD/IUPAC Name]
4H-6,3-Methenofuro[3,2-c]bisoxireno[f,h]oxacycloundecin-4,8(6H)-dione, 1a,1b,2a,6a,7,9a,10,10a-octahydro-10a-methyl-7-methylene-, (1aS,1bR,2aR,6R,6aR,9aS,10aS)- [ACD/Index Name]

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

Density: 1.5±0.1 g/cm3
Boiling Point: 599.9±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.7 mmHg at 25°C
Enthalpy of Vaporization: 89.3±3.0 kJ/mol
Flash Point: 270.8±30.2 °C
Index of Refraction: 1.617
Molar Refractivity: 67.6±0.4 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: -0.74
ACD/LogD (pH 5.5): -0.19
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 18.66
ACD/LogD (pH 7.4): -0.19
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 18.66
Polar Surface Area: 78 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 56.0±5.0 dyne/cm
Molar Volume: 193.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement