ChemSpider 2D Image | Ethyl 3-[(3r)-adamantan-1-yl]-3-oxopropanoate | C15H22O3

Ethyl 3-[(3r)-adamantan-1-yl]-3-oxopropanoate

  • Molecular FormulaC15H22O3
  • Average mass250.333 Da
  • Monoisotopic mass250.156891 Da
  • ChemSpider ID74173519

  • defined stereocentres - 3 of 4 defined stereocentres

More details:

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

3-[(3r)-Adamantan-1-yl]-3-oxopropanoate d'éthyle [French] [ACD/IUPAC Name]
Ethyl 3-[(3r)-adamantan-1-yl]-3-oxopropanoate [ACD/IUPAC Name]
Ethyl-3-[(3r)-adamantan-1-yl]-3-oxopropanoat [German] [ACD/IUPAC Name]
Tricyclo[3.3.1.13,7]decane-1-propanoic acid, β-oxo-, ethyl ester [ACD/Index Name]

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

Density: 1.1±0.1 g/cm3
Boiling Point: 357.4±0.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.3±3.0 kJ/mol
Flash Point: 146.6±20.4 °C
Index of Refraction: 1.525
Molar Refractivity: 67.0±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.60
ACD/LogD (pH 5.5): 3.30
ACD/BCF (pH 5.5): 190.28
ACD/KOC (pH 5.5): 1490.01
ACD/LogD (pH 7.4): 3.30
ACD/BCF (pH 7.4): 190.17
ACD/KOC (pH 7.4): 1489.15
Polar Surface Area: 43 Å2
Polarizability: 26.6±0.5 10-24cm3
Surface Tension: 44.2±3.0 dyne/cm
Molar Volume: 218.5±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement