ChemSpider 2D Image | 3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C19H26O3

3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID26519526

  • defined stereocentres - 1 of 3 defined stereocentres

More details:

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

(1R)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de 3-allyl-2-méthyl-4-oxo-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
102509073 [Beilstein]
231937-89-6 [RN]
3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl (1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl-(1R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
687-634-7 [EINECS]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester, (1R)- [ACD/Index Name]
L5V BUTJ B2U1 C1 DOV- BL3TJ A1 A1 C1UY1&1 &&R Form [WLN]
(1r)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylic acid 2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) (1R)-2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 386.8±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 63.6±3.0 kJ/mol
Flash Point: 166.0±27.9 °C
Index of Refraction: 1.515
Molar Refractivity: 86.8±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 4.92
ACD/LogD (pH 5.5): 5.05
ACD/BCF (pH 5.5): 4032.67
ACD/KOC (pH 5.5): 13257.97
ACD/LogD (pH 7.4): 5.05
ACD/BCF (pH 7.4): 4032.67
ACD/KOC (pH 7.4): 13257.97
Polar Surface Area: 43 Å2
Polarizability: 34.4±0.5 10-24cm3
Surface Tension: 36.4±5.0 dyne/cm
Molar Volume: 287.5±5.0 cm3

Click to predict properties on the Chemicalize site


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