ChemSpider 2D Image | (1R,3S)-2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid | C16H26N2O5

(1R,3S)-2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid

  • Molecular FormulaC16H26N2O5
  • Average mass326.388 Da
  • Monoisotopic mass326.184174 Da
  • ChemSpider ID56592721

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

(1R,3S)-2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropancarbonsäure [German] [ACD/IUPAC Name]
(1R,3S)-2,2-Dimethyl-3-[(4-{[(2-methyl-2-propanyl)oxy]carbonyl}-1-piperazinyl)carbonyl]cyclopropanecarboxylic acid [ACD/IUPAC Name]
1-Piperazinecarboxylic acid, 4-[[(1S,3R)-3-carboxy-2,2-dimethylcyclopropyl]carbonyl]-, 1-(1,1-dimethylethyl) ester [ACD/Index Name]
Acide (1R,3S)-2,2-diméthyl-3-[(4-{[(2-méthyl-2-propanyl)oxy]carbonyl}-1-pipérazinyl)carbonyl]cyclopropanecarboxylique [French] [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: 490.6±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.7 mmHg at 25°C
Enthalpy of Vaporization: 82.9±6.0 kJ/mol
Flash Point: 250.5±28.7 °C
Index of Refraction: 1.528
Molar Refractivity: 82.2±0.3 cm3
#H bond acceptors: 7
#H bond donors: 1
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 1.67
ACD/LogD (pH 5.5): 0.75
ACD/BCF (pH 5.5): 1.18
ACD/KOC (pH 5.5): 19.09
ACD/LogD (pH 7.4): -1.05
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 1.00
Polar Surface Area: 87 Å2
Polarizability: 32.6±0.5 10-24cm3
Surface Tension: 48.9±3.0 dyne/cm
Molar Volume: 267.0±3.0 cm3

Click to predict properties on the Chemicalize site


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