ChemSpider 2D Image | (3aS,3bR,4aR,4bS,7bR)-4a,7-Dimethyl-3-methylene-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dione | C15H16O3

(3aS,3bR,4aR,4bS,7bR)-4a,7-Dimethyl-3-methylene-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dione

  • Molecular FormulaC15H16O3
  • Average mass244.286 Da
  • Monoisotopic mass244.109940 Da
  • ChemSpider ID24702703

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(3aS,3bR,4aR,4bS,7bR)-4a,7-Dimethyl-3-methylen-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dion [German] [ACD/IUPAC Name]
(3aS,3bR,4aR,4bS,7bR)-4a,7-Dimethyl-3-methylene-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dione [ACD/IUPAC Name]
(3aS,3bR,4aR,4bS,7bR)-4a,7-Diméthyl-3-méthylène-3a,4,4a,4b,5,7b-hexahydrocyclopropa[6,7]indéno[4,5-b]furane-2,6(3H,3bH)-dione [French] [ACD/IUPAC Name]
Cycloprop[6,7]indeno[4,5-b]furan-2,6(3H,3bH)-dione, 3a,4,4a,4b,5,7b-hexahydro-4a,7-dimethyl-3-methylene-, (3aS,3bR,4aR,4bS,7bR)- [ACD/Index Name]
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL485060/

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

Density: 1.3±0.1 g/cm3
Boiling Point: 446.3±34.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 70.4±3.0 kJ/mol
Flash Point: 201.6±25.7 °C
Index of Refraction: 1.583
Molar Refractivity: 64.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.88
ACD/LogD (pH 5.5): 1.50
ACD/BCF (pH 5.5): 8.15
ACD/KOC (pH 5.5): 156.30
ACD/LogD (pH 7.4): 1.50
ACD/BCF (pH 7.4): 8.15
ACD/KOC (pH 7.4): 156.30
Polar Surface Area: 43 Å2
Polarizability: 25.5±0.5 10-24cm3
Surface Tension: 44.8±5.0 dyne/cm
Molar Volume: 192.2±5.0 cm3

Click to predict properties on the Chemicalize site


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