ChemSpider 2D Image | (4S,6S)-4,6-Dihydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one | C15H22O4

(4S,6S)-4,6-Dihydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one

  • Molecular FormulaC15H22O4
  • Average mass266.333 Da
  • Monoisotopic mass266.151794 Da
  • ChemSpider ID78441382

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(4S,6S)-4,6-Dihydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-on [German] [ACD/IUPAC Name]
(4S,6S)-4,6-Dihydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-2-cyclohexen-1-one [ACD/IUPAC Name]
(4S,6S)-4,6-Dihydroxy-6-méthyl-3-[(1R)-1,2,2-triméthyl-3-oxocyclopentyl]-2-cyclohexén-1-one [French] [ACD/IUPAC Name]
2-Cyclohexen-1-one, 4,6-dihydroxy-6-methyl-3-[(1R)-1,2,2-trimethyl-3-oxocyclopentyl]-, (4S,6S)- [ACD/Index Name]
Enokipodin E

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

Density: 1.2±0.1 g/cm3
Boiling Point: 434.7±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.4 mmHg at 25°C
Enthalpy of Vaporization: 79.8±6.0 kJ/mol
Flash Point: 230.8±25.2 °C
Index of Refraction: 1.546
Molar Refractivity: 70.4±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.29
ACD/LogD (pH 5.5): 0.56
ACD/BCF (pH 5.5): 1.58
ACD/KOC (pH 5.5): 48.33
ACD/LogD (pH 7.4): 0.56
ACD/BCF (pH 7.4): 1.58
ACD/KOC (pH 7.4): 48.33
Polar Surface Area: 75 Å2
Polarizability: 27.9±0.5 10-24cm3
Surface Tension: 48.6±3.0 dyne/cm
Molar Volume: 222.3±3.0 cm3

Click to predict properties on the Chemicalize site


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