ChemSpider 2D Image | 2-[(2R,4aR,8S)-4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl]acrylic acid | C15H22O2

2-[(2R,4aR,8S)-4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl]acrylic acid

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID21179422

  • defined stereocentres - 3 of 3 defined stereocentres

More details:

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

2-[(2R,4aR,8S)-4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalenyl]acrylic acid [ACD/IUPAC Name]
2-[(2R,4aR,8S)-4a,8-Dimethyl-2,3,4,4a,5,6,7,8-octahydro-2-naphthalinyl]acrylsäure [German] [ACD/IUPAC Name]
2-Naphthaleneacetic acid, 2,3,4,4a,5,6,7,8-octahydro-4a,8-dimethyl-α-methylene-, (2R,4aR,8S)- [ACD/Index Name]
Acide 2-[(2R,4aR,8S)-4a,8-diméthyl-2,3,4,4a,5,6,7,8-octahydro-2-naphtalényl]acrylique [French] [ACD/IUPAC Name]
[185845-89-0] [RN]
185845-89-0 [RN]
MFCD17214857
Pterodontic acid

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

Density: 1.1±0.1 g/cm3
Boiling Point: 372.0±21.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 68.0±6.0 kJ/mol
Flash Point: 271.9±13.0 °C
Index of Refraction: 1.524
Molar Refractivity: 68.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 1
ACD/LogP: 5.10
ACD/LogD (pH 5.5): 3.22
ACD/BCF (pH 5.5): 79.84
ACD/KOC (pH 5.5): 340.21
ACD/LogD (pH 7.4): 1.44
ACD/BCF (pH 7.4): 1.34
ACD/KOC (pH 7.4): 5.71
Polar Surface Area: 37 Å2
Polarizability: 27.1±0.5 10-24cm3
Surface Tension: 38.5±5.0 dyne/cm
Molar Volume: 223.0±5.0 cm3

Click to predict properties on the Chemicalize site


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