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Chemistry | Software | Chem Pentaerythritol Tetracaprylate

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Pentaerythritol TetraCaprylate


  • SKU Code: CH136354
Chemical Name - Pentaerythritol TetraCaprylate
Mol Weight - 640.939
Smiles - CCCCCCCC(OCC(COC(CCCCCCC)=O)(COC(CCCCCCC)=O)COC(CCCCCCC)=O)=O
Property Name Property Value
Mol NamePentaerythritol TetraCaprylate
Molweight640.939
Monoisotopic Mass640.49142
Clogp11.353
Clogs-7.683
H Acceptors8
Total Surface Area569.23
Relative Psa0.1619
Polar Surface Area105.2
Druglikeness-26.24
Mutageniclow
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.46667
Molecular Flexibility0.6568
Molecular Complexity0.63466
Non H Atoms45
Non Ch Atoms8
Electronegative Atoms8
Rotatable Bonds36
Sp3 Atoms37
Symmetric Atoms33
SmilesCCCCCCCC(OCC(COC(CCCCCCC)=O)(COC(CCCCCCC)=O)COC(CCCCCCC)=O)=O

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