ChemSpider 2D Image | (1S,2S,5R)-2-Methyl-5-[(2R)-1-oxo-2-propanyl]cyclopentanecarboxylic acid | C10H16O3

(1S,2S,5R)-2-Methyl-5-[(2R)-1-oxo-2-propanyl]cyclopentanecarboxylic acid

  • Molecular FormulaC10H16O3
  • Average mass184.232 Da
  • Monoisotopic mass184.109940 Da
  • ChemSpider ID61426987

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

(1S,2S,5R)-2-Methyl-5-[(2R)-1-oxo-2-propanyl]cyclopentancarbonsäure [German] [ACD/IUPAC Name]
(1S,2S,5R)-2-Methyl-5-[(2R)-1-oxo-2-propanyl]cyclopentanecarboxylic acid [ACD/IUPAC Name]
Acide (1S,2S,5R)-2-méthyl-5-[(2R)-1-oxo-2-propanyl]cyclopentanecarboxylique [French] [ACD/IUPAC Name]
Cyclopentanecarboxylic acid, 2-methyl-5-[(1R)-1-methyl-2-oxoethyl]-, (1S,2S,5R)- [ACD/Index Name]
21651-63-8 [RN]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 315.4±15.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 61.2±6.0 kJ/mol
Flash Point: 158.8±16.9 °C
Index of Refraction: 1.474
Molar Refractivity: 47.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 1.40
ACD/LogD (pH 5.5): 0.81
ACD/BCF (pH 5.5): 1.50
ACD/KOC (pH 5.5): 26.07
ACD/LogD (pH 7.4): -0.99
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 54 Å2
Polarizability: 19.0±0.5 10-24cm3
Surface Tension: 38.3±3.0 dyne/cm
Molar Volume: 170.4±3.0 cm3

Click to predict properties on the Chemicalize site


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