ChemSpider 2D Image | 4-(6a-Methyl-3-oxo-2,3,4,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[f]quinolin-7-yl)pentanoic acid | C18H27NO3

4-(6a-Methyl-3-oxo-2,3,4,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[f]quinolin-7-yl)pentanoic acid

  • Molecular FormulaC18H27NO3
  • Average mass305.412 Da
  • Monoisotopic mass305.199097 Da
  • ChemSpider ID26503657

More details:

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

1H-Cyclopenta[f]quinoline-7-butanoic acid, 2,3,4,6,6a,7,8,9,9a,9b-decahydro-γ,6a-dimethyl-3-oxo- [ACD/Index Name]
4-(6a-Methyl-3-oxo-2,3,4,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[f]chinolin-7-yl)pentansäure [German] [ACD/IUPAC Name]
4-(6a-Methyl-3-oxo-2,3,4,6,6a,7,8,9,9a,9b-decahydro-1H-cyclopenta[f]quinolin-7-yl)pentanoic acid [ACD/IUPAC Name]
Acide 4-(6a-méthyl-3-oxo-2,3,4,6,6a,7,8,9,9a,9b-décahydro-1H-cyclopenta[f]quinoléin-7-yl)pentanoïque [French] [ACD/IUPAC Name]
29366-71-0 [RN]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 533.7±32.0 °C at 760 mmHg
Vapour Pressure: 0.0±3.0 mmHg at 25°C
Enthalpy of Vaporization: 88.6±6.0 kJ/mol
Flash Point: 276.6±25.1 °C
Index of Refraction: 1.552
Molar Refractivity: 84.3±0.4 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.37
ACD/LogD (pH 5.5): 2.17
ACD/BCF (pH 5.5): 16.81
ACD/KOC (pH 5.5): 153.61
ACD/LogD (pH 7.4): 0.38
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.45
Polar Surface Area: 66 Å2
Polarizability: 33.4±0.5 10-24cm3
Surface Tension: 47.0±5.0 dyne/cm
Molar Volume: 263.6±5.0 cm3

Click to predict properties on the Chemicalize site


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