ChemSpider 2D Image | (1S)-1-[(2S,3aR,6R,6aS)-6-(Hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-yl]-1-propanol | C11H20O3

(1S)-1-[(2S,3aR,6R,6aS)-6-(Hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-yl]-1-propanol

  • Molecular FormulaC11H20O3
  • Average mass200.275 Da
  • Monoisotopic mass200.141251 Da
  • ChemSpider ID24699694

  • defined stereocentres - 5 of 5 defined stereocentres

More details:

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

(1S)-1-[(2S,3aR,6R,6aS)-6-(Hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-yl]-1-propanol [German] [ACD/IUPAC Name]
(1S)-1-[(2S,3aR,6R,6aS)-6-(Hydroxymethyl)hexahydro-2H-cyclopenta[b]furan-2-yl]-1-propanol [ACD/IUPAC Name]
(1S)-1-[(2S,3aR,6R,6aS)-6-(Hydroxyméthyl)hexahydro-2H-cyclopenta[b]furan-2-yl]-1-propanol [French] [ACD/IUPAC Name]
2H-Cyclopenta[b]furan-2,6-dimethanol, α2-ethylhexahydro-, (α2S,2S,3aR,6R,6aS)- [ACD/Index Name]
communiol E
https://www.ebi.ac.uk/chembl/compoundreportcard/CHEMBL478810/

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

Density: 1.1±0.1 g/cm3
Boiling Point: 333.3±7.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.6 mmHg at 25°C
Enthalpy of Vaporization: 66.8±6.0 kJ/mol
Flash Point: 155.4±18.2 °C
Index of Refraction: 1.500
Molar Refractivity: 53.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 0.26
ACD/LogD (pH 5.5): 0.65
ACD/BCF (pH 5.5): 1.84
ACD/KOC (pH 5.5): 53.76
ACD/LogD (pH 7.4): 0.65
ACD/BCF (pH 7.4): 1.84
ACD/KOC (pH 7.4): 53.76
Polar Surface Area: 50 Å2
Polarizability: 21.2±0.5 10-24cm3
Surface Tension: 39.2±3.0 dyne/cm
Molar Volume: 182.2±3.0 cm3

Click to predict properties on the Chemicalize site


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