ChemSpider 2D Image | (3aS,3bS,5R,6aR,7aS)-5-(Hydroxymethyl)-1,3a,5-trimethyl-3a,3b,4,5,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-one | C15H22O2

(3aS,3bS,5R,6aR,7aS)-5-(Hydroxymethyl)-1,3a,5-trimethyl-3a,3b,4,5,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-one

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID28289714

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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(3aS,3bS,5R,6aR,7aS)-5-(Hydroxymethyl)-1,3a,5-trimethyl-3a,3b,4,5,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-on [German] [ACD/IUPAC Name]
(3aS,3bS,5R,6aR,7aS)-5-(Hydroxymethyl)-1,3a,5-trimethyl-3a,3b,4,5,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalen-3-one [ACD/IUPAC Name]
(3aS,3bS,5R,6aR,7aS)-5-(Hydroxyméthyl)-1,3a,5-triméthyl-3a,3b,4,5,6,6a,7,7a-octahydro-3H-cyclopenta[a]pentalén-3-one [French] [ACD/IUPAC Name]
3H-Cyclopenta[a]pentalen-3-one, 3a,3b,4,5,6,6a,7,7a-octahydro-5-(hydroxymethyl)-1,3a,5-trimethyl-, (3aS,3bS,5R,6aR,7aS)- [ACD/Index Name]
flammulinol A

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

Density: 1.1±0.1 g/cm3
Boiling Point: 352.1±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 69.1±6.0 kJ/mol
Flash Point: 150.0±11.9 °C
Index of Refraction: 1.528
Molar Refractivity: 66.7±0.3 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 2.01
ACD/LogD (pH 5.5): 2.48
ACD/BCF (pH 5.5): 45.37
ACD/KOC (pH 5.5): 533.96
ACD/LogD (pH 7.4): 2.48
ACD/BCF (pH 7.4): 45.37
ACD/KOC (pH 7.4): 533.96
Polar Surface Area: 37 Å2
Polarizability: 26.5±0.5 10-24cm3
Surface Tension: 37.1±3.0 dyne/cm
Molar Volume: 216.7±3.0 cm3

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