ChemSpider 2D Image | (1R,3aR,5S,7S,9aS)-5,7-Dihydroxy-1-isopropenyl-3a-methyl-2,3,3a,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8(1H)-one | C16H22O4

(1R,3aR,5S,7S,9aS)-5,7-Dihydroxy-1-isopropenyl-3a-methyl-2,3,3a,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8(1H)-one

  • Molecular FormulaC16H22O4
  • Average mass278.344 Da
  • Monoisotopic mass278.151794 Da
  • ChemSpider ID35516713

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1R,3aR,5S,7S,9aS)-5,7-Dihydroxy-1-isopropenyl-3a-methyl-2,3,3a,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8(1H)-on [German] [ACD/IUPAC Name]
(1R,3aR,5S,7S,9aS)-5,7-Dihydroxy-1-isopropenyl-3a-methyl-2,3,3a,5,6,7,9,9a-octahydrocyclopenta[b]chromen-8(1H)-one [ACD/IUPAC Name]
(1R,3aR,5S,7S,9aS)-5,7-Dihydroxy-1-isopropényl-3a-méthyl-2,3,3a,5,6,7,9,9a-octahydrocyclopenta[b]chromén-8(1H)-one [French] [ACD/IUPAC Name]
Benzo[b]cyclopenta[e]pyran-8(1H)-one, 2,3,3a,5,6,7,9,9a-octahydro-5,7-dihydroxy-3a-methyl-1-(1-methylethenyl)-, (1R,3aR,5S,7S,9aS)- [ACD/Index Name]
guignardone G

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

Density: 1.2±0.1 g/cm3
Boiling Point: 459.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.6 mmHg at 25°C
Enthalpy of Vaporization: 83.0±6.0 kJ/mol
Flash Point: 169.4±22.2 °C
Index of Refraction: 1.570
Molar Refractivity: 73.8±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.68
ACD/LogD (pH 5.5): 2.37
ACD/BCF (pH 5.5): 37.17
ACD/KOC (pH 5.5): 462.97
ACD/LogD (pH 7.4): 2.37
ACD/BCF (pH 7.4): 37.17
ACD/KOC (pH 7.4): 462.97
Polar Surface Area: 67 Å2
Polarizability: 29.3±0.5 10-24cm3
Surface Tension: 49.0±5.0 dyne/cm
Molar Volume: 225.1±5.0 cm3

Click to predict properties on the Chemicalize site


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