ChemSpider 2D Image | (S)-6-Benzyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate | C18H23NO4

(S)-6-Benzyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate

  • Molecular FormulaC18H23NO4
  • Average mass317.379 Da
  • Monoisotopic mass317.162720 Da
  • ChemSpider ID57373726

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-6-Azaspiro[2.5]octane-1,6-dicarboxylate de 6-benzyle et de 1-éthyle [French] [ACD/IUPAC Name]
(S)-6-Benzyl 1-ethyl 6-azaspiro[2.5]octane-1,6-dicarboxylate
1539277-97-8 [RN]
6-Azaspiro[2.5]octane-1,6-dicarboxylic acid, 1-ethyl 6-(phenylmethyl) ester, (1S)- [ACD/Index Name]
6-Benzyl 1-ethyl (1S)-6-azaspiro[2.5]octane-1,6-dicarboxylate [ACD/IUPAC Name]
6-Benzyl-1-ethyl-(1S)-6-azaspiro[2.5]octan-1,6-dicarboxylat [German] [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: 438.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.1 mmHg at 25°C
Enthalpy of Vaporization: 69.6±3.0 kJ/mol
Flash Point: 219.2±28.7 °C
Index of Refraction: 1.567
Molar Refractivity: 85.8±0.4 cm3
#H bond acceptors: 5
#H bond donors: 0
#Freely Rotating Bonds: 6
#Rule of 5 Violations: 0
ACD/LogP: 2.78
ACD/LogD (pH 5.5): 3.04
ACD/BCF (pH 5.5): 119.56
ACD/KOC (pH 5.5): 1068.40
ACD/LogD (pH 7.4): 3.04
ACD/BCF (pH 7.4): 119.56
ACD/KOC (pH 7.4): 1068.40
Polar Surface Area: 56 Å2
Polarizability: 34.0±0.5 10-24cm3
Surface Tension: 49.5±5.0 dyne/cm
Molar Volume: 262.9±5.0 cm3

Click to predict properties on the Chemicalize site


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