ChemSpider 2D Image | (1S)-2-Methyl-4-oxo-3-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl (1S,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate | C21H30O3

(1S)-2-Methyl-4-oxo-3-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl (1S,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate

  • Molecular FormulaC21H30O3
  • Average mass330.461 Da
  • Monoisotopic mass330.219482 Da
  • ChemSpider ID77498621

  • Double-bond stereo - Double-bond stereo

    defined stereocentres - 3 of 3 defined stereocentres

More details:

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

(1S)-2-Methyl-4-oxo-3-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl (1S,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropanecarboxylate [ACD/IUPAC Name]
(1S)-2-Methyl-4-oxo-3-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl-(1S,3R)-2,2-dimethyl-3-(2-methyl-1-propen-1-yl)cyclopropancarboxylat [German] [ACD/IUPAC Name]
(1S,3R)-2,2-Diméthyl-3-(2-méthyl-1-propén-1-yl)cyclopropanecarboxylate de (1S)-2-méthyl-4-oxo-3-[(2Z)-2-pentén-1-yl]-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-[(2Z)-2-penten-1-yl]-2-cyclopenten-1-yl ester, (1S,3R)- [ACD/Index Name]

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

Density: 1.0±0.1 g/cm3
Boiling Point: 417.5±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.1±3.0 kJ/mol
Flash Point: 178.5±28.8 °C
Index of Refraction: 1.517
Molar Refractivity: 96.2±0.4 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.97
ACD/LogD (pH 5.5): 5.59
ACD/BCF (pH 5.5): 10504.64
ACD/KOC (pH 5.5): 26308.38
ACD/LogD (pH 7.4): 5.59
ACD/BCF (pH 7.4): 10504.64
ACD/KOC (pH 7.4): 26308.38
Polar Surface Area: 43 Å2
Polarizability: 38.1±0.5 10-24cm3
Surface Tension: 37.1±5.0 dyne/cm
Molar Volume: 318.0±5.0 cm3

Click to predict properties on the Chemicalize site


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