ChemSpider 2D Image | 3-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]propanoic acid | C15H22O2

3-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]propanoic acid

  • Molecular FormulaC15H22O2
  • Average mass234.334 Da
  • Monoisotopic mass234.161987 Da
  • ChemSpider ID28517436
  • defined stereocentres - 4 of 4 defined stereocentres


More details:






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

1-Naphthalenepropanoic acid, 1,2,6,7,8,8a-hexahydro-2,6-dimethyl-, (1S,2S,6R,8aR)- [ACD/Index Name]
3-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalenyl]propanoic acid [ACD/IUPAC Name]
3-[(1S,2S,6R,8aR)-2,6-Dimethyl-1,2,6,7,8,8a-hexahydro-1-naphthalinyl]propansäure [German] [ACD/IUPAC Name]
Acide 3-[(1S,2S,6R,8aR)-2,6-diméthyl-1,2,6,7,8,8a-hexahydro-1-naphtalényl]propanoïque [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.1±0.1 g/cm3
Boiling Point: 393.0±11.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.9 mmHg at 25°C
Enthalpy of Vaporization: 70.6±6.0 kJ/mol
Flash Point: 289.8±14.4 °C
Index of Refraction: 1.530
Molar Refractivity: 68.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 4.49
ACD/LogD (pH 5.5): 3.76
ACD/BCF (pH 5.5): 265.29
ACD/KOC (pH 5.5): 1081.49
ACD/LogD (pH 7.4): 1.96
ACD/BCF (pH 7.4): 4.21
ACD/KOC (pH 7.4): 17.15
Polar Surface Area: 37 Å2
Polarizability: 27.2±0.5 10-24cm3
Surface Tension: 39.8±5.0 dyne/cm
Molar Volume: 222.0±5.0 cm3

Click to predict properties on the Chemicalize site






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