Keyword(s): Human Metabolites
Molecule Category Free-form
UNII DC43HC978D
EPA CompTox DTXSID40210287

Structure

InChI Key AVQSOIZWTINZLU-UHFFFAOYSA-N
Smiles O=C(CCC)CCCCCCCC
InChI
InChI=1/C12H24O/c1-3-5-6-7-8-9-11-12(13)10-4-2/h3-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O
Molecular Weight 184.18
AlogP 4.11
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 17.07
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 6137-26-4
NORMAN SUSDAT
FDA SRS DC43HC978D
PubChem 80226