ChemSpider 2D Image | (1R,2R)-1-[(~2~H_5_)Ethyloxy]-2-(1-hexyn-1-yl)cyclopentane | C13H17D5O

(1R,2R)-1-[(2H5)Ethyloxy]-2-(1-hexyn-1-yl)cyclopentane

  • Molecular FormulaC13H17D5O
  • Average mass199.344 Da
  • Monoisotopic mass199.198456 Da
  • ChemSpider ID9053421

  • defined stereocentres - 2 of 2 defined stereocentres

    Non-standard isotope - Non-standard isotope

More details:

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

(1R,2R)-1-[(2H5)Ethyloxy]-2-(1-hexin-1-yl)cyclopentan [German] [ACD/IUPAC Name]
(1R,2R)-1-[(2H5)Ethyloxy]-2-(1-hexyn-1-yl)cyclopentane [ACD/IUPAC Name]
(1R,2R)-1-[(2H5)Éthyloxy]-2-(1-hexyn-1-yl)cyclopentane [French] [ACD/IUPAC Name]
Cyclopentane, 1-(ethyl-d5-oxy)-2-(1-hexyn-1-yl)-, (1R,2R)- [ACD/Index Name]

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

Density: 0.9±0.1 g/cm3
Boiling Point: 263.6±29.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.1±3.0 kJ/mol
Flash Point: 107.4±20.0 °C
Index of Refraction: 1.468
Molar Refractivity: 59.9±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 3.94
ACD/LogD (pH 5.5): 3.71
ACD/BCF (pH 5.5): 388.68
ACD/KOC (pH 5.5): 2484.49
ACD/LogD (pH 7.4): 3.71
ACD/BCF (pH 7.4): 388.68
ACD/KOC (pH 7.4): 2484.49
Polar Surface Area: 9 Å2
Polarizability: 23.7±0.5 10-24cm3
Surface Tension: 32.7±5.0 dyne/cm
Molar Volume: 215.3±5.0 cm3

Click to predict properties on the Chemicalize site


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