ChemSpider 2D Image | (R)-2,2,3-Trimethylcyclopent-3-ene-1-ethyl acetate | C12H20O2

(R)-2,2,3-Trimethylcyclopent-3-ene-1-ethyl acetate

  • Molecular FormulaC12H20O2
  • Average mass196.286 Da
  • Monoisotopic mass196.146332 Da
  • ChemSpider ID34997557
  • defined stereocentres - 1 of 1 defined stereocentres


More details:






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

(1R)-2,2,3-Trimethyl-3-cyclopentene-1-ethyl acetate
(R)-2,2,3-Trimethylcyclopent-3-ene-1-ethyl acetate [ACD/IUPAC Name]
2-[(1R)-2,2,3-Trimethyl-3-cyclopenten-1-yl]ethyl acetate [ACD/IUPAC Name]
2-[(1R)-2,2,3-Trimethyl-3-cyclopenten-1-yl]ethyl-acetat [German] [ACD/IUPAC Name]
3-Cyclopentene-1-ethanol, 2,2,3-trimethyl-, 1-acetate, (1R)-
3-Cyclopentene-1-ethanol, 2,2,3-trimethyl-, acetate, (1R)- [ACD/Index Name]
52486-39-2 [RN]
Acétate de 2-[(1R)-2,2,3-triméthyl-3-cyclopentén-1-yl]éthyle [French] [ACD/IUPAC Name]
L5UTJ A1 D2OV1 E1 E1 &&(R)- Form [WLN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 0.9±0.1 g/cm3
Boiling Point: 232.6±9.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.9±3.0 kJ/mol
Flash Point: 77.8±17.1 °C
Index of Refraction: 1.450
Molar Refractivity: 57.1±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.72
ACD/BCF (pH 5.5): 392.80
ACD/KOC (pH 5.5): 2503.30
ACD/LogD (pH 7.4): 3.72
ACD/BCF (pH 7.4): 392.80
ACD/KOC (pH 7.4): 2503.30
Polar Surface Area: 26 Å2
Polarizability: 22.6±0.5 10-24cm3
Surface Tension: 27.1±3.0 dyne/cm
Molar Volume: 212.5±3.0 cm3

Click to predict properties on the Chemicalize site






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