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

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

  • Molecular FormulaC19H26O3
  • Average mass302.408 Da
  • Monoisotopic mass302.188202 Da
  • ChemSpider ID23620761

  • defined stereocentres - 2 of 3 defined stereocentres

More details:

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

(1S)-3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl (3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(1S)-3-Allyl-2-methyl-4-oxo-2-cyclopenten-1-yl-(3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S)-3-Allyl-2-methyl-4-oxocyclopent-2-en-1-yl (3R)-2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropanecarboxylate
(3R)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (1S)-3-allyl-2-méthyl-4-oxo-2-cyclopentén-1-yle [French] [ACD/IUPAC Name]
Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-, (1S)-2-methyl-4-oxo-3-(2-propen-1-yl)-2-cyclopenten-1-yl ester, (3R)- [ACD/Index Name]
(S)-3-ALLYL-2-METHYL-4-OXOCYCLOPENT-2-ENYL (+)-TRANS-CHRYSANTHEMATE

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


Advertisement