ChemSpider 2D Image | (1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C19H24O3

(1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC19H24O3
  • Average mass300.392 Da
  • Monoisotopic mass300.172546 Da
  • ChemSpider ID23498826

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S)-2-Methyl-4-oxo-3-(2-propin-1-yl)-2-cyclopenten-1-yl-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate
(1S)-2-Methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(1S)-2-Methyl-4-oxo-3-(prop-2-yn-1-yl)cyclopent-2-en-1-yl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (1S)-2-méthyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
204244-85-9 [RN]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester [ACD/Index Name]
cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S)-2-methyl-4-oxo-3-(2-propyn-1-yl)-2-cyclopenten-1-yl ester, (1R)-
103065-19-6 [RN]
MFCD01632766 [MDL number]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 389.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.9±3.0 kJ/mol
Flash Point: 167.9±27.9 °C
Index of Refraction: 1.524
Molar Refractivity: 84.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.38
ACD/LogD (pH 5.5): 4.60
ACD/BCF (pH 5.5): 1857.63
ACD/KOC (pH 5.5): 7612.33
ACD/LogD (pH 7.4): 4.60
ACD/BCF (pH 7.4): 1857.63
ACD/KOC (pH 7.4): 7612.33
Polar Surface Area: 43 Å2
Polarizability: 33.6±0.5 10-24cm3
Surface Tension: 39.9±5.0 dyne/cm
Molar Volume: 277.1±5.0 cm3

Click to predict properties on the Chemicalize site


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