ChemSpider 2D Image | Ethyl {4-[(3R,5S)-adamantan-1-yl]phenoxy}acetate | C20H26O3

Ethyl {4-[(3R,5S)-adamantan-1-yl]phenoxy}acetate

  • Molecular FormulaC20H26O3
  • Average mass314.419 Da
  • Monoisotopic mass314.188202 Da
  • ChemSpider ID57380784

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

{4-[(3R,5S)-Adamantan-1-yl]phénoxy}acétate d'éthyle [French] [ACD/IUPAC Name]
Acetic acid, 2-[4-[(3R,5S)-tricyclo[3.3.1.13,7]dec-1-yl]phenoxy]-, ethyl ester [ACD/Index Name]
Ethyl {4-[(3R,5S)-adamantan-1-yl]phenoxy}acetate [ACD/IUPAC Name]
Ethyl-{4-[(3R,5S)-adamantan-1-yl]phenoxy}acetat [German] [ACD/IUPAC Name]
52804-25-8 [RN]
Ethyl 2-(4-((3r,5r,7r)-adamantan-1-yl)phenoxy)acetate
MFCD00168199

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

Density: 1.1±0.1 g/cm3
Boiling Point: 422.5±28.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 67.7±3.0 kJ/mol
Flash Point: 179.8±18.6 °C
Index of Refraction: 1.559
Molar Refractivity: 88.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 1
ACD/LogP: 5.28
ACD/LogD (pH 5.5): 5.07
ACD/BCF (pH 5.5): 4189.70
ACD/KOC (pH 5.5): 13625.49
ACD/LogD (pH 7.4): 5.07
ACD/BCF (pH 7.4): 4189.70
ACD/KOC (pH 7.4): 13625.49
Polar Surface Area: 36 Å2
Polarizability: 35.3±0.5 10-24cm3
Surface Tension: 45.5±3.0 dyne/cm
Molar Volume: 275.4±3.0 cm3

Click to predict properties on the Chemicalize site


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