Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID9070379

Structure

InChI Key ABTZKZVAJTXGNN-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCCOC(=O)CCCCCC
InChI
InChI=1S/C25H50O2/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24-27-25(26)23-21-8-6-4-2/h3-24H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H50O2
Molecular Weight 382.38
AlogP 8.76
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 22.0
Polar Surface Area 26.3
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 66009-41-4
NORMAN SUSDAT
PubChem 105242
ChemSpider 94936.0