ChemSpider 2D Image | (3aS,5aS,9aR,9bR)-5a-Methyl-3,9-bis(methylene)-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione | C15H16O3

(3aS,5aS,9aR,9bR)-5a-Methyl-3,9-bis(methylene)-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

  • Molecular FormulaC15H16O3
  • Average mass244.286 Da
  • Monoisotopic mass244.109940 Da
  • ChemSpider ID23339506

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(3aS,5aS,9aR,9bR)-5a-Methyl-3,9-bis(methylene)-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione [ACD/IUPAC Name]
(3aS,5aS,9aR,9bR)-5a-Methyl-3,9-dimethylen-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dion [German] [ACD/IUPAC Name]
(3aS,5aS,9aR,9bR)-5a-Méthyl-3,9-diméthylène-3a,5,5a,9,9a,9b-hexahydronaphto[1,2-b]furane-2,8(3H,4H)-dione [French] [ACD/IUPAC Name]
Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9,9a,9b-hexahydro-5a-methyl-3,9-bis(methylene)-, (3aS,5aS,9aR,9bR)- [ACD/Index Name]
(3aS,5aS,9aR,9bR)-5a-methyl-3,9-dimethylidene-3a,5,5a,9,9a,9b-hexahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione
dehydrobrachylaenolide
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL465782/

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

Density: 1.2±0.1 g/cm3
Boiling Point: 432.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 68.8±3.0 kJ/mol
Flash Point: 194.5±28.8 °C
Index of Refraction: 1.557
Molar Refractivity: 66.3±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.75
ACD/LogD (pH 5.5): 1.97
ACD/BCF (pH 5.5): 18.33
ACD/KOC (pH 5.5): 279.10
ACD/LogD (pH 7.4): 1.97
ACD/BCF (pH 7.4): 18.33
ACD/KOC (pH 7.4): 279.10
Polar Surface Area: 43 Å2
Polarizability: 26.3±0.5 10-24cm3
Surface Tension: 41.3±5.0 dyne/cm
Molar Volume: 205.8±5.0 cm3

Click to predict properties on the Chemicalize site


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