ChemSpider 2D Image | Methyl 5-[(3s,5s,7s)-adamantan-1-yl]-2-furoate | C16H20O3

Methyl 5-[(3s,5s,7s)-adamantan-1-yl]-2-furoate

  • Molecular FormulaC16H20O3
  • Average mass260.328 Da
  • Monoisotopic mass260.141235 Da
  • ChemSpider ID37780827

  • defined stereocentres - 4 of 4 defined stereocentres

More details:

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

2-Furancarboxylic acid, 5-tricyclo[3.3.1.13,7]dec-1-yl-, methyl ester [ACD/Index Name]
5-[(3s,5s,7s)-Adamantan-1-yl]-2-furoate de méthyle [French] [ACD/IUPAC Name]
Methyl 5-[(3s,5s,7s)-adamantan-1-yl]-2-furoate [ACD/IUPAC Name]
Methyl-5-[(3s,5s,7s)-adamantan-1-yl]-2-furoat [German] [ACD/IUPAC Name]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 376.5±30.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 62.4±3.0 kJ/mol
Flash Point: 181.5±24.6 °C
Index of Refraction: 1.558
Molar Refractivity: 70.6±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.33
ACD/LogD (pH 5.5): 4.21
ACD/BCF (pH 5.5): 931.78
ACD/KOC (pH 5.5): 4645.54
ACD/LogD (pH 7.4): 4.21
ACD/BCF (pH 7.4): 931.78
ACD/KOC (pH 7.4): 4645.54
Polar Surface Area: 39 Å2
Polarizability: 28.0±0.5 10-24cm3
Surface Tension: 46.9±3.0 dyne/cm
Molar Volume: 219.1±3.0 cm3

Click to predict properties on the Chemicalize site


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