ChemSpider 2D Image | 2-[(5R,8S,8aR)-8-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylic acid | C15H20O4

2-[(5R,8S,8aR)-8-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylic acid

  • Molecular FormulaC15H20O4
  • Average mass264.317 Da
  • Monoisotopic mass264.136169 Da
  • ChemSpider ID58114444

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(5R,8S,8aR)-8-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylic acid [ACD/IUPAC Name]
2-[(5R,8S,8aR)-8-Hydroxy-3,8-dimethyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulenyl]acrylsäure [German] [ACD/IUPAC Name]
5-Azuleneacetic acid, 1,2,4,5,6,7,8,8a-octahydro-8-hydroxy-3,8-dimethyl-α-methylene-2-oxo-, (5R,8S,8aR)- [ACD/Index Name]
Acide 2-[(5R,8S,8aR)-8-hydroxy-3,8-diméthyl-2-oxo-1,2,4,5,6,7,8,8a-octahydro-5-azulényl]acrylique [French] [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: 484.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.8 mmHg at 25°C
Enthalpy of Vaporization: 86.5±6.0 kJ/mol
Flash Point: 261.2±25.2 °C
Index of Refraction: 1.554
Molar Refractivity: 69.7±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 1.23
ACD/LogD (pH 5.5): 0.55
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 13.69
ACD/LogD (pH 7.4): -1.25
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 75 Å2
Polarizability: 27.6±0.5 10-24cm3
Surface Tension: 48.7±5.0 dyne/cm
Molar Volume: 217.2±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement