ChemSpider 2D Image | (1S,11bS)-4,4,7,11b-Tetramethyl-6-oxo-1,2,3,4,6,11b-hexahydrophenanthro[3,2-b]furan-1-yl acetate | C22H24O4

(1S,11bS)-4,4,7,11b-Tetramethyl-6-oxo-1,2,3,4,6,11b-hexahydrophenanthro[3,2-b]furan-1-yl acetate

  • Molecular FormulaC22H24O4
  • Average mass352.424 Da
  • Monoisotopic mass352.167450 Da
  • ChemSpider ID30827958

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,11bS)-4,4,7,11b-Tetramethyl-6-oxo-1,2,3,4,6,11b-hexahydrophenanthro[3,2-b]furan-1-yl acetate [ACD/IUPAC Name]
(1S,11bS)-4,4,7,11b-Tetramethyl-6-oxo-1,2,3,4,6,11b-hexahydrophenanthro[3,2-b]furan-1-yl-acetat [German] [ACD/IUPAC Name]
Acétate de (1S,11bS)-4,4,7,11b-tétraméthyl-6-oxo-1,2,3,4,6,11b-hexahydrophénanthro[3,2-b]furan-1-yle [French] [ACD/IUPAC Name]
Phenanthro[3,2-b]furan-6(2H)-one, 1-(acetyloxy)-1,3,4,11b-tetrahydro-4,4,7,11b-tetramethyl-, (1S,11bS)- [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: 482.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 74.8±3.0 kJ/mol
Flash Point: 245.8±28.7 °C
Index of Refraction: 1.597
Molar Refractivity: 99.2±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.38
ACD/LogD (pH 5.5): 5.57
ACD/BCF (pH 5.5): 10100.54
ACD/KOC (pH 5.5): 25579.93
ACD/LogD (pH 7.4): 5.57
ACD/BCF (pH 7.4): 10100.54
ACD/KOC (pH 7.4): 25579.93
Polar Surface Area: 57 Å2
Polarizability: 39.3±0.5 10-24cm3
Surface Tension: 48.3±5.0 dyne/cm
Molar Volume: 291.0±5.0 cm3

Click to predict properties on the Chemicalize site


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