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Search term: 78437582 (Found by CSID)
ChemSpider 2D Image | Methyl (1S,5S)-3,5-dichloro-2-[(1E)-1-chloro-1-propen-1-yl]-1-hydroxy-4-oxo-2-cyclopentene-1-carboxylate | C10H9Cl3O4

Methyl (1S,5S)-3,5-dichloro-2-[(1E)-1-chloro-1-propen-1-yl]-1-hydroxy-4-oxo-2-cyclopentene-1-carboxylate

  • Molecular FormulaC10H9Cl3O4
  • Average mass299.535 Da
  • Monoisotopic mass297.956635 Da
  • ChemSpider ID78437582

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1S,5S)-3,5-Dichloro-2-[(1E)-1-chloro-1-propén-1-yl]-1-hydroxy-4-oxo-2-cyclopentène-1-carboxylate de méthyle [French] [ACD/IUPAC Name]
2-Cyclopentene-1-carboxylic acid, 3,5-dichloro-2-[(1E)-1-chloro-1-propen-1-yl]-1-hydroxy-4-oxo-, methyl ester, (1S,5S)- [ACD/Index Name]
Methyl (1S,5S)-3,5-dichloro-2-[(1E)-1-chloro-1-propen-1-yl]-1-hydroxy-4-oxo-2-cyclopentene-1-carboxylate [ACD/IUPAC Name]
Methyl-(1S,5S)-3,5-dichlor-2-[(1E)-1-chlor-1-propen-1-yl]-1-hydroxy-4-oxo-2-cyclopenten-1-carboxylat [German] [ACD/IUPAC Name]
Palmaenone B

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

Density: 1.5±0.1 g/cm3
Boiling Point: 392.3±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 74.2±6.0 kJ/mol
Flash Point: 191.1±27.9 °C
Index of Refraction: 1.564
Molar Refractivity: 63.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.53
ACD/LogD (pH 5.5): 2.26
ACD/BCF (pH 5.5): 30.68
ACD/KOC (pH 5.5): 403.54
ACD/LogD (pH 7.4): 2.24
ACD/BCF (pH 7.4): 29.48
ACD/KOC (pH 7.4): 387.64
Polar Surface Area: 64 Å2
Polarizability: 25.1±0.5 10-24cm3
Surface Tension: 52.0±5.0 dyne/cm
Molar Volume: 195.0±5.0 cm3

Click to predict properties on the Chemicalize site


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