Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID10886938

Structure

InChI Key NANOXXPHSWMTGR-UHFFFAOYSA-N
Smiles OCCC=CCCC=CCC
InChI
InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h3-4,7-8,11H,2,5-6,9-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.67
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 6.0
Polar Surface Area 20.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67845-44-7
NORMAN SUSDAT
PubChem 105763