Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90215500

Structure

InChI Key CSHOPPGMNYULAD-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCOCCCCCCCCCCCCC
InChI
InChI=1S/C26H54O/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-26H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H54O1
Molecular Weight 382.42
AlogP 9.63
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 24.0
Polar Surface Area 9.23
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 65193-89-7
NORMAN SUSDAT
PubChem 6455068
ChemSpider 4957349.0