2D Structure

Propylene Glycol Di-Pelargonate


  • SKU Code: CH139613
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Chemical Name - Propylene Glycol Di-Pelargonate
Mol Weight - 356.545
Smiles - CCCCCCCCC(OCC(C)OC(CCCCCCCC)=O)=O
Property Name Property Value
Mol NamePropylene Glycol Di-Pelargonate
Molweight356.545
Monoisotopic Mass356.29266
Clogp6.8139
Clogs-4.948
H Acceptors4
Total Surface Area324.68
Relative Psa0.14192
Polar Surface Area52.6
Druglikeness-27.591
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantlow
Shape Index0.88
Molecular Flexibility0.59206
Molecular Complexity0.53051
Fragments1
Non H Atoms25
Non Ch Atoms4
Electronegative Atoms4
Stereo Centers1
Rotatable Bonds19
Sp3 Atoms21
SmilesCCCCCCCCC(OCC(C)OC(CCCCCCCC)=O)=O
InChIKeyInChI=1S/C21H40O4/c1-4-6-8-10-12-14-16-20(22)24-18-19(3)25-21(23)17-15-13-11-9-7-5-2/h19H,4-18H2,1-3H3
InChISGRCVQDBWHCTIS-UHFFFAOYSA-N

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