Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30989177

Structure

InChI Key DAFWFNCOQYVQDQ-UHFFFAOYSA-N
Smiles OCC(O)CCCCCCC(O)CO
InChI
InChI=1/C10H22O4/c11-7-9(13)5-3-1-2-4-6-10(14)8-12/h9-14H,1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O4
Molecular Weight 206.15
AlogP 0.03
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 4.0
Number of Rotational Bond 9.0
Polar Surface Area 80.92
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 69380-67-2
NORMAN SUSDAT
PubChem 3017932