ChemSpider 2D Image | Microhelenin A | C15H18O4

Microhelenin A

  • Molecular FormulaC15H18O4
  • Average mass262.301 Da
  • Monoisotopic mass262.120514 Da
  • ChemSpider ID58817836

  • defined stereocentres - 4 of 6 defined stereocentres

More details:

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

(3R,7R,9R,10S)-9-Methyl-4-methylen-6,12-dioxatetracyclo[9.2.2.01,10.03,7]pentadecan-5,14-dion [German] [ACD/IUPAC Name]
(3R,7R,9R,10S)-9-Methyl-4-methylene-6,12-dioxatetracyclo[9.2.2.01,10.03,7]pentadecane-5,14-dione [ACD/IUPAC Name]
(3R,7R,9R,10S)-9-Méthyl-4-méthylène-6,12-dioxatétracyclo[9.2.2.01,10.03,7]pentadécane-5,14-dione [French] [ACD/IUPAC Name]
5H-4a,7-Ethano-4H-cyclohepta[1,2-b:4,5-c']difuran-2,11(3H)-dione, hexahydro-8-methyl-3-methylene-, (3aR,7aS,8R,9aR)- [ACD/Index Name]
Microhelenin A
61490-63-9 [RN]
Microhelenins

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

Density: 1.3±0.1 g/cm3
Boiling Point: 465.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 72.7±3.0 kJ/mol
Flash Point: 209.7±28.8 °C
Index of Refraction: 1.559
Molar Refractivity: 66.5±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.19
ACD/LogD (pH 5.5): 0.68
ACD/BCF (pH 5.5): 1.93
ACD/KOC (pH 5.5): 55.78
ACD/LogD (pH 7.4): 0.68
ACD/BCF (pH 7.4): 1.93
ACD/KOC (pH 7.4): 55.78
Polar Surface Area: 53 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 45.7±5.0 dyne/cm
Molar Volume: 205.9±5.0 cm3

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