ChemSpider 2D Image | (4aS,8aR,9aS)-3,8a-Dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one | C15H20O2

(4aS,8aR,9aS)-3,8a-Dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one

  • Molecular FormulaC15H20O2
  • Average mass232.318 Da
  • Monoisotopic mass232.146332 Da
  • ChemSpider ID23326813
  • defined stereocentres - 3 of 3 defined stereocentres


More details:






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

(4aS,8aR,9aS)-3,8a-Dimethyl-5-methylen-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-on [German] [ACD/IUPAC Name]
(4aS,8aR,9aS)-3,8a-Dimethyl-5-methylene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one [ACD/IUPAC Name]
(4aS,8aR,9aS)-3,8a-Diméthyl-5-méthylène-4a,5,6,7,8,8a,9,9a-octahydronaphto[2,3-b]furan-2(4H)-one [French] [ACD/IUPAC Name]
Naphtho[2,3-b]furan-2(4H)-one, 4a,5,6,7,8,8a,9,9a-octahydro-3,8a-dimethyl-5-methylene-, (4aS,8aR,9aS)- [ACD/Index Name]
(4aS,8aR,9aS)-3,8a-Dimethyl-4-methylidene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-2H,4H,4aH,5H,6H,7H,8H,8aH,9H,9aH-naphtho[2,3-b]furan-2-one
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,5,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(4H)-one
(4aS,8aR,9aS)-3,8a-dimethyl-5-methylidene-4a,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-2-one
[73069-14-4]
2-Atractylenolide
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 378.0±41.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.6±3.0 kJ/mol
Flash Point: 158.7±25.0 °C
Index of Refraction: 1.535
Molar Refractivity: 66.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.61
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 394.22
ACD/KOC (pH 5.5): 2509.75
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 394.22
ACD/KOC (pH 7.4): 2509.75
Polar Surface Area: 26 Å2
Polarizability: 26.2±0.5 10-24cm3
Surface Tension: 37.3±5.0 dyne/cm
Molar Volume: 212.8±5.0 cm3

Click to predict properties on the Chemicalize site






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