Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 1HZO49D869
EPA CompTox DTXSID5074268

Structure

InChI Key GDXHBFHOEYVPED-UHFFFAOYSA-N
Smiles CCCCOCCOCCCC
InChI
InChI=1S/C10H22O2/c1-3-5-7-11-9-10-12-8-6-4-2/h3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O2
Molecular Weight 174.16
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 112-48-1
NORMAN SUSDAT
FDA SRS 1HZO49D869
PubChem 8188
ChemSpider 7896.0