ChemSpider 2D Image | Methyl [(1R,2R)-2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-3-cyclopenten-1-yl]acetate | C15H24O4

Methyl [(1R,2R)-2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-3-cyclopenten-1-yl]acetate

  • Molecular FormulaC15H24O4
  • Average mass268.349 Da
  • Monoisotopic mass268.167450 Da
  • ChemSpider ID34981888

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

[(1R,2R)-2-Hydroxy-3,4-diméthyl-5-oxo-2-pentyl-3-cyclopentén-1-yl]acétate de méthyle [French] [ACD/IUPAC Name]
3-Cyclopentene-1-acetic acid, 2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-, methyl ester, (1R,2R)- [ACD/Index Name]
Methyl [(1R,2R)-2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-3-cyclopenten-1-yl]acetate [ACD/IUPAC Name]
Methyl-[(1R,2R)-2-hydroxy-3,4-dimethyl-5-oxo-2-pentyl-3-cyclopenten-1-yl]acetat [German] [ACD/IUPAC Name]
sinulolide C

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

Density: 1.1±0.1 g/cm3
Boiling Point: 381.2±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.0 mmHg at 25°C
Enthalpy of Vaporization: 72.8±6.0 kJ/mol
Flash Point: 133.0±21.4 °C
Index of Refraction: 1.483
Molar Refractivity: 72.7±0.3 cm3
#H bond acceptors: 4
#H bond donors: 1
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.58
ACD/LogD (pH 5.5): 2.84
ACD/BCF (pH 5.5): 85.13
ACD/KOC (pH 5.5): 837.86
ACD/LogD (pH 7.4): 2.84
ACD/BCF (pH 7.4): 85.13
ACD/KOC (pH 7.4): 837.86
Polar Surface Area: 64 Å2
Polarizability: 28.8±0.5 10-24cm3
Surface Tension: 36.0±3.0 dyne/cm
Molar Volume: 254.5±3.0 cm3

Click to predict properties on the Chemicalize site


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