ChemSpider 2D Image | (3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid | C19H25NO4

(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid

  • Molecular FormulaC19H25NO4
  • Average mass331.406 Da
  • Monoisotopic mass331.178345 Da
  • ChemSpider ID32801981

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carbonsäure [German] [ACD/IUPAC Name]
(3R)-1'-{[(2-Methyl-2-propanyl)oxy]carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylic acid [ACD/IUPAC Name]
185526-40-3 [RN]
Acide (3R)-1'-{[(2-méthyl-2-propanyl)oxy]carbonyl}-2,3-dihydrospiro[indene-1,4'-piperidine]-3-carboxylique [French] [ACD/IUPAC Name]
Spiro[1H-indene-1,4'-piperidine]-1',3-dicarboxylic acid, 2,3-dihydro-, 1'-(1,1-dimethylethyl) ester, (3R)- [ACD/Index 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: 495.9±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.3 mmHg at 25°C
Enthalpy of Vaporization: 80.4±3.0 kJ/mol
Flash Point: 253.7±28.7 °C
Index of Refraction: 1.582
Molar Refractivity: 90.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.73
ACD/LogD (pH 5.5): 2.09
ACD/BCF (pH 5.5): 11.05
ACD/KOC (pH 5.5): 82.98
ACD/LogD (pH 7.4): 0.31
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.39
Polar Surface Area: 67 Å2
Polarizability: 35.8±0.5 10-24cm3
Surface Tension: 52.7±5.0 dyne/cm
Molar Volume: 270.3±5.0 cm3

Click to predict properties on the Chemicalize site


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