ChemSpider 2D Image | 5-[(3s,5s,7s)-Adamantan-1-yl]-2-furoic acid | C15H18O3

5-[(3s,5s,7s)-Adamantan-1-yl]-2-furoic acid

  • Molecular FormulaC15H18O3
  • Average mass246.302 Da
  • Monoisotopic mass246.125595 Da
  • ChemSpider ID110449923

  • 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- [ACD/Index Name]
5-[(3s,5s,7s)-Adamantan-1-yl]-2-furoesäure [German] [ACD/IUPAC Name]
5-[(3s,5s,7s)-Adamantan-1-yl]-2-furoic acid [ACD/IUPAC Name]
Acide 5-[(3s,5s,7s)-adamantan-1-yl]-2-furoïque [French] [ACD/IUPAC Name]

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

Density: 1.3±0.1 g/cm3
Boiling Point: 403.6±33.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 69.1±3.0 kJ/mol
Flash Point: 197.9±25.4 °C
Index of Refraction: 1.595
Molar Refractivity: 65.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.98
ACD/LogD (pH 5.5): 1.95
ACD/BCF (pH 5.5): 5.70
ACD/KOC (pH 5.5): 30.93
ACD/LogD (pH 7.4): 0.94
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 3.01
Polar Surface Area: 50 Å2
Polarizability: 26.1±0.5 10-24cm3
Surface Tension: 56.2±3.0 dyne/cm
Molar Volume: 193.7±3.0 cm3

Click to predict properties on the Chemicalize site


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