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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL501722
CHEMBL501722
Compound Name
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C28H58O9

Additional synonyms for CHEMBL501722 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCOCCO
Standard InChI InChI=1S/C28H58O9/c1-2-3-4-5-6-7-8-9-10-11-13-30-15-17-32-19 ...
Download InChI
Standard InChI Key YYELLDKEOUKVIQ-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL501722

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
538.8 538.4081 3.57 34 94.07 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 1 1 9 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 3.26 3.26 0 37 0.12

Structural Alerts

There are 10 structural alerts for CHEMBL501722. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YYELLDKEOUKVIQ-UHFFFAOYSA-N
Wikipedia Octaethylene_glycol_monododecyl_ether

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL501722



ACToR 3055-98-9
ChEBI 41527
eMolecules 520500
EPA CompTox Dashboard DTXSID30184640
IBM Patent System 82366C2B818ED256827C0782D2A7CAEE
Nikkaji J208.815K
PDBe CE1
PubChem 123921
PubChem: Thomson Pharma 14812285
SureChEMBL SCHEMBL60924

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/YYELLDKEOUKVIQ-UHFFFAOYSA-N spacer
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