Found 1 result

Search term: 78440230 (Found by CSID)
ChemSpider 2D Image | (4R,5R)-5-[(1R)-1-Hydroxybutyl]-4-(2-hydroxybutyl)-2-methyl-2-cyclopenten-1-one | C14H24O3

(4R,5R)-5-[(1R)-1-Hydroxybutyl]-4-(2-hydroxybutyl)-2-methyl-2-cyclopenten-1-one

  • Molecular FormulaC14H24O3
  • Average mass240.339 Da
  • Monoisotopic mass240.172546 Da
  • ChemSpider ID78440230

  • defined stereocentres - 2 of 4 defined stereocentres

More details:

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

(4R,5R)-5-[(1R)-1-Hydroxybutyl]-4-(2-hydroxybutyl)-2-methyl-2-cyclopenten-1-on [German] [ACD/IUPAC Name]
(4R,5R)-5-[(1R)-1-Hydroxybutyl]-4-(2-hydroxybutyl)-2-methyl-2-cyclopenten-1-one [ACD/IUPAC Name]
(4R,5R)-5-[(1R)-1-Hydroxybutyl]-4-(2-hydroxybutyl)-2-méthyl-2-cyclopentén-1-one [French] [ACD/IUPAC Name]
2-Cyclopenten-1-one, 5-[(1R)-1-hydroxybutyl]-4-(2-hydroxybutyl)-2-methyl-, (4R,5R)- [ACD/Index Name]
phomapentenone A

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

Density: 1.0±0.1 g/cm3
Boiling Point: 378.1±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 72.4±6.0 kJ/mol
Flash Point: 196.7±19.7 °C
Index of Refraction: 1.497
Molar Refractivity: 67.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 2
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 1.17
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 14.91
ACD/KOC (pH 5.5): 240.79
ACD/LogD (pH 7.4): 1.85
ACD/BCF (pH 7.4): 14.91
ACD/KOC (pH 7.4): 240.79
Polar Surface Area: 58 Å2
Polarizability: 26.8±0.5 10-24cm3
Surface Tension: 38.7±3.0 dyne/cm
Molar Volume: 231.1±3.0 cm3

Click to predict properties on the Chemicalize site


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