POG

(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL

Created: 2004-09-01
Last modified:  2020-05-27

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Chemical Details

Formal Charge0
Atom Count73
Chiral Atom Count0
Bond Count72
Aromatic Bond Count0
2D diagram of POG
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Chemical Component Summary

Name(20S)-2,5,8,11,14,17-HEXAMETHYL-3,6,9,12,15,18-HEXAOXAHENICOSANE-1,20-DIOL
SynonymsPOLYPROPYLENE GLYCOL; HEPTAPROPYLENE GLYCOL
Systematic Name (OpenEye OEToolkits)(2R)-1-[(2S)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-[(2R)-1-hydroxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-yl]oxypropan-2-ol
FormulaC21 H44 O8
Molecular Weight424.569
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O(CC(O)C)C(COC(C)COC(C)COC(C)COC(C)COC(C)CO)C
SMILESCACTVS3.341C[CH](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
SMILESOpenEye OEToolkits1.5.0CC(CO)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)OCC(C)O
Canonical SMILESCACTVS3.341 C[C@@H](O)COC(C)COC(C)COC(C)COC(C)COC(C)COC(C)CO
Canonical SMILESOpenEye OEToolkits1.5.0 C[C@H](CO)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@@H](C)OC[C@H](C)OC[C@@H](C)O
InChIInChI1.03 InChI=1S/C21H44O8/c1-15(23)9-24-17(3)11-26-19(5)13-28-21(7)14-29-20(6)12-27-18(4)10-25-16(2)8-22/h15-23H,8-14H2,1-7H3/t15-,16?,17?,18?,19?,20?,21?/m1/s1
InChIKeyInChI1.03 OWRNLGZKEZSHGO-QAWAPDBNSA-N

Related Resource References

Resource NameReference
PubChem 52944184