Keyword(s): Human Metabolites
Molecule Category Free-form
UNII B2Q48J997N
EPA CompTox DTXSID6062333

Structure

InChI Key CJPNOLIZCWDHJK-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCC(=O)C
InChI
InChI=1S/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H30O1
Molecular Weight 226.23
AlogP 5.28
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 12.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 2345-28-0
NORMAN SUSDAT
FDA SRS B2Q48J997N
PubChem 61303
ChemSpider 55242.0