Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KQ3EHL2XVN
EPA CompTox DTXSID9068958

Structure

InChI Key QCYFOZWGXKXDJA-UHFFFAOYSA-N
Smiles CCCCCCOCCCC
InChI
InChI=1S/C10H22O/c1-3-5-7-8-10-11-9-6-4-2/h3-10H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O1
Molecular Weight 158.17
AlogP 3.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 54459-71-1
NORMAN SUSDAT
FDA SRS KQ3EHL2XVN
PubChem 108598
ChemSpider 97645.0