Found 49 results

Search term: MF = 'C_{24}H_{37}NO_{3}S'
ChemSpider 2D Image | 2-Methyl-2-propanyl 4-[({trans-4-[4-(methylsulfanyl)phenyl]cyclohexyl}oxy)methyl]-1-piperidinecarboxylate | C24H37NO3S

2-Methyl-2-propanyl 4-[({trans-4-[4-(methylsulfanyl)phenyl]cyclohexyl}oxy)methyl]-1-piperidinecarboxylate

  • Molecular FormulaC24H37NO3S
  • Average mass419.621 Da
  • Monoisotopic mass419.249420 Da
  • ChemSpider ID29410681

  • defined stereocentres - 2 of 2 defined stereocentres

More details:

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

1-Piperidinecarboxylic acid, 4-[[[trans-4-[4-(methylthio)phenyl]cyclohexyl]oxy]methyl]-, 1,1-dimethylethyl ester [ACD/Index Name]
2-Methyl-2-propanyl 4-[({trans-4-[4-(methylsulfanyl)phenyl]cyclohexyl}oxy)methyl]-1-piperidinecarboxylate [ACD/IUPAC Name]
2-Methyl-2-propanyl-4-[({trans-4-[4-(methylsulfanyl)phenyl]cyclohexyl}oxy)methyl]-1-piperidincarboxylat [German] [ACD/IUPAC Name]
4-[({trans-4-[4-(Méthylsulfanyl)phényl]cyclohexyl}oxy)méthyl]-1-pipéridinecarboxylate de 2-méthyl-2-propanyle [French] [ACD/IUPAC Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.1±0.1 g/cm3
Boiling Point: 525.1±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.4 mmHg at 25°C
Enthalpy of Vaporization: 79.9±3.0 kJ/mol
Flash Point: 271.4±28.7 °C
Index of Refraction: 1.556
Molar Refractivity: 121.4±0.4 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 1
ACD/LogP: 5.53
ACD/LogD (pH 5.5): 5.67
ACD/BCF (pH 5.5): 12038.67
ACD/KOC (pH 5.5): 29004.59
ACD/LogD (pH 7.4): 5.67
ACD/BCF (pH 7.4): 12038.67
ACD/KOC (pH 7.4): 29004.59
Polar Surface Area: 64 Å2
Polarizability: 48.1±0.5 10-24cm3
Surface Tension: 45.2±5.0 dyne/cm
Molar Volume: 377.6±5.0 cm3

Click to predict properties on the Chemicalize site


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