Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7F67CSB3DU
EPA CompTox DTXSID3074284

Structure

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

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O1
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 19780-10-0
NORMAN SUSDAT
FDA SRS 7F67CSB3DU
PubChem 29771
ChemSpider 27665.0