ChemSpider 2D Image | (4aR,6S,7aR,7bS)-7a-Hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-4H-cyclobuta[e]inden-4-one | C15H22O3

(4aR,6S,7aR,7bS)-7a-Hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-4H-cyclobuta[e]inden-4-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78442034

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(4aR,6S,7aR,7bS)-7a-Hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-4H-cyclobuta[e]inden-4-on [German] [ACD/IUPAC Name]
(4aR,6S,7aR,7bS)-7a-Hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-1,2,4a,5,6,7,7a,7b-octahydro-4H-cyclobuta[e]inden-4-one [ACD/IUPAC Name]
(4aR,6S,7aR,7bS)-7a-Hydroxy-6-(hydroxyméthyl)-3,6,7b-triméthyl-1,2,4a,5,6,7,7a,7b-octahydro-4H-cyclobuta[e]indén-4-one [French] [ACD/IUPAC Name]
4H-Cyclobut[e]inden-4-one, 1,2,4a,5,6,7,7a,7b-octahydro-7a-hydroxy-6-(hydroxymethyl)-3,6,7b-trimethyl-, (4aR,6S,7aR,7bS)- [ACD/Index Name]
Epiplorantinone B

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

Density: 1.2±0.1 g/cm3
Boiling Point: 402.1±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.1 mmHg at 25°C
Enthalpy of Vaporization: 75.5±6.0 kJ/mol
Flash Point: 211.2±20.5 °C
Index of Refraction: 1.573
Molar Refractivity: 68.0±0.4 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.94
ACD/LogD (pH 5.5): 0.93
ACD/BCF (pH 5.5): 2.99
ACD/KOC (pH 5.5): 76.19
ACD/LogD (pH 7.4): 0.93
ACD/BCF (pH 7.4): 2.99
ACD/KOC (pH 7.4): 76.19
Polar Surface Area: 58 Å2
Polarizability: 27.0±0.5 10-24cm3
Surface Tension: 49.7±5.0 dyne/cm
Molar Volume: 206.5±5.0 cm3

Click to predict properties on the Chemicalize site


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