ChemSpider 2D Image | (3S,3aS,5aS,5bR,10bS)-3-Hydroxy-3,3a,5b-trimethyl-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluoren-8(1H)-one | C19H28O2

(3S,3aS,5aS,5bR,10bS)-3-Hydroxy-3,3a,5b-trimethyl-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluoren-8(1H)-one

  • Molecular FormulaC19H28O2
  • Average mass288.424 Da
  • Monoisotopic mass288.208923 Da
  • ChemSpider ID78075802

  • defined stereocentres - 5 of 6 defined stereocentres

More details:

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

(3S,3aS,5aS,5bR,10bS)-3-Hydroxy-3,3a,5b-trimethyl-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluoren-8(1H)-on [German] [ACD/IUPAC Name]
(3S,3aS,5aS,5bR,10bS)-3-Hydroxy-3,3a,5b-trimethyl-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydrocyclopenta[a]fluoren-8(1H)-one [ACD/IUPAC Name]
(3S,3aS,5aS,5bR,10bS)-3-Hydroxy-3,3a,5b-triméthyl-2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodécahydrocyclopenta[a]fluorén-8(1H)-one [French] [ACD/IUPAC Name]
Cyclopenta[a]fluoren-8(1H)-one, 2,3,3a,4,5,5a,5b,6,7,10,10a,10b-dodecahydro-3-hydroxy-3,3a,5b-trimethyl-, (3S,3aS,5aS,5bR,10bS)- [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 419.8±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 77.8±6.0 kJ/mol
Flash Point: 179.2±21.3 °C
Index of Refraction: 1.561
Molar Refractivity: 83.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 3.45
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 268.11
ACD/KOC (pH 5.5): 1904.57
ACD/LogD (pH 7.4): 3.50
ACD/BCF (pH 7.4): 268.11
ACD/KOC (pH 7.4): 1904.57
Polar Surface Area: 37 Å2
Polarizability: 33.0±0.5 10-24cm3
Surface Tension: 44.2±5.0 dyne/cm
Molar Volume: 256.8±5.0 cm3

Click to predict properties on the Chemicalize site


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