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Predicted properties of the compound entered.

ID GFGOBYYLGDSCHL-UHFFFAOYSA-N
Formula C45H62N2O4
IUPAC Name 4,5,10,11-tetrakis(hexyloxy)-18-methyl-15,22-diazapentacyclo[12.8.0.0^{2,7}.0^{8,13}.0^{16,21}]docosa-1(14),2,4,6,8,10,12,15,17,19,21-undecaene
SMILES
Standard InChI
Standard InChIKey
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Other Names and Identifiers
Standard InChI (User Input) InChI=1S/C45H62N2O4/c1-6-10-14-18-24-48-40-29-34-35-30-41(49-25-19-15-11-7-2)43(51-27-21-17-13-9-4)32-37(35)45-44(46-38-23-22-33(5)28-39(38)47-45)36(34)31-42(40)50-26-20-16-12-8-3/h22-23,28-32H,6-21,24-27H2,1-5H3
Standard InChIKey (User Input) InChIKey=GFGOBYYLGDSCHL-UHFFFAOYSA-N
Non-Standard InChI
Non-Standard InChIKey
Other Names and Identifiers
For more property data (~2,100 data sets per compound) with higher accuracy , try our new database.
Mol-Instincts Database
 
Property Value Unit Accuracy
Absolute Entropy of Ideal Gas at 298.15K and 1bar - - -
Acentric Factor - - -
Critical Compressibility Factor - - -
Critical Pressure - - -
Critical Temperature - - -
Critical Volume - - -
Enthalpy of Formation for Ideal Gas at 298.15K - - -
Liquid Molar Volume at 298.15K - - -
Molecular Weight - - -
Net Standard State Enthalpy of Combustion at 298.15K - - -
Normal Boiling Point - - -
Melting Point - - -
Refractive Index - - -
Solubility Parameter at 298.15K - - -
Standard State Absolute Entropy at 298.15K and 1bar - - -
Standard State Enthalpy of Formation at 298.15K and 1bar - - -
Magnetic Susceptibility - - -
Polarizability - - -
Flash Point - - -
Parachor - - -
Lower Flammability Limit Temperature - - -
Lower Flammability Limit Volume Percent - - -
Upper Flammability Limit Temperature - - -
Upper Flammability Limit Volume Percent - - -
Liquid Density at Normal Boiling Point - - -
Heat of Vaporization at 298.15K - - -
Heat of Vaporization at Normal Boiling Point - - -
Water Solubility - - -
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1H NMR prediction -
13C NMR prediction -
COSY -
HSQC/HMBC prediction -
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