Found 1 result

Search term: 78440696 (Found by CSID)
ChemSpider 2D Image | (6S)-6-Hydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one | C15H22O3

(6S)-6-Hydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID78440696

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(6S)-6-Hydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(6S)-6-Hydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
(6S)-6-Hydroxy-6-méthyl-3-[(1R)-1,2,2-triméthyl-3-oxocyclopentyl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 6-hydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-, (6S)- [ACD/Index Name]
Enokipodin F

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

Density: 1.1±0.1 g/cm3
Boiling Point: 383.9±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 73.1±6.0 kJ/mol
Flash Point: 200.1±24.4 °C
Index of Refraction: 1.522
Molar Refractivity: 68.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.03
ACD/LogD (pH 5.5): 1.34
ACD/BCF (pH 5.5): 6.11
ACD/KOC (pH 5.5): 127.10
ACD/LogD (pH 7.4): 1.34
ACD/BCF (pH 7.4): 6.11
ACD/KOC (pH 7.4): 127.09
Polar Surface Area: 54 Å2
Polarizability: 27.3±0.5 10-24cm3
Surface Tension: 41.5±3.0 dyne/cm
Molar Volume: 225.3±3.0 cm3

Click to predict properties on the Chemicalize site


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