Chem 95 Octyl Stearate 2 | Cheminformatics
2D Structure

Octyl Stearate


  • SKU Code: CH139655
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Chemical Name - Octyl Stearate
Mol Weight - 396.697
Smiles - CCCCCCCCCCCCCCCCCC(OCCCCCCCC)=O
Property Name Property Value
Mol NameOctyl Stearate
Molweight396.697
Monoisotopic Mass396.39673
Clogp10.532
Clogs-6.827
H Acceptors2
Total Surface Area382.25
Relative Psa0.060275
Polar Surface Area26.3
Druglikeness-30.202
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Shape Index0.96429
Molecular Flexibility0.54725
Molecular Complexity0.47083
Fragments1
Non H Atoms28
Non Ch Atoms2
Electronegative Atoms2
Rotatable Bonds24
Sp3 Atoms26
SmilesCCCCCCCCCCCCCCCCCC(OCCCCCCCC)=O
InChIKeyInChI=1S/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3
InChIIIGMITQLXAGZTL-UHFFFAOYSA-N

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