ChemSpider 2D Image | (3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione | C15H18O3

(3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID129310769

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

(3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dion [German] [ACD/IUPAC Name]
(3aS,5aR,9bS)-3,5a,9-Trimethyl-3a,5,5a,9b-tetrahydronaphtho[1,2-b]furan-2,8(3H,4H)-dione [ACD/IUPAC Name]
(3aS,5aR,9bS)-3,5a,9-Triméthyl-3a,5,5a,9b-tétrahydronaphto[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,9b-tetrahydro-3,5a,9-trimethyl-, (3aS,5aR,9bS)- [ACD/Index Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 423.4±44.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.8±3.0 kJ/mol
Flash Point: 189.7±28.5 °C
Index of Refraction: 1.552
Molar Refractivity: 66.6±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 1.60
ACD/LogD (pH 5.5): 2.10
ACD/BCF (pH 5.5): 23.01
ACD/KOC (pH 5.5): 328.42
ACD/LogD (pH 7.4): 2.10
ACD/BCF (pH 7.4): 23.01
ACD/KOC (pH 7.4): 328.42
Polar Surface Area: 43 Å2
Polarizability: 26.4±0.5 10-24cm3
Surface Tension: 42.0±5.0 dyne/cm
Molar Volume: 208.5±5.0 cm3

Click to predict properties on the Chemicalize site


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