Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80183709

Structure

InChI Key XSFJMMWTLXMXTK-UHFFFAOYSA-N
Smiles OCC1CCCCCCCCCC1
InChI
InChI=1/C12H24O/c13-11-12-9-7-5-3-1-2-4-6-8-10-12/h12-13H,1-11H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O
Molecular Weight 184.18
AlogP 3.51
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 20.23
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 29518-02-3
NORMAN SUSDAT
PubChem 122404