ChemSpider 2D Image | Methyl {(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}(~13~C_2_)acetate | C1113C2H20O3

Methyl {(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}(13C2)acetate

  • Molecular FormulaC1113C2H20O3
  • Average mass226.281 Da
  • Monoisotopic mass226.147949 Da
  • ChemSpider ID58783328
  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope


More details:






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

{(1S,2S)-3-Oxo-2-[(2Z)-2-pentén-1-yl]cyclopentyl}(13C2)acétate de méthyle [French] [ACD/IUPAC Name]
Cyclopentaneacetic-α,carboxy-13C2 acid, 3-oxo-2-[(2Z)-2-penten-1-yl]-, methyl ester, (1S,2S)- [ACD/Index Name]
Methyl {(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}(13C2)acetate [ACD/IUPAC Name]
Methyl-{(1S,2S)-3-oxo-2-[(2Z)-2-penten-1-yl]cyclopentyl}(13C2)acetat [German] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.0±0.1 g/cm3
Boiling Point:
Vapour Pressure:
Enthalpy of Vaporization:
Flash Point:
Index of Refraction: 1.469
Molar Refractivity: 62.2±0.3 cm3
#H bond acceptors:
#H bond donors:
#Freely Rotating Bonds:
#Rule of 5 Violations:
ACD/LogP:
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area:
Polarizability: 24.7±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 223.5±3.0 cm3

Click to predict properties on the Chemicalize site






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