Keyword(s): Human Metabolites
Molecule Category Free-form
UNII ZJL7NZY4GE
EPA CompTox DTXSID10182245

Structure

InChI Key RSYGAEISWXZUKM-UHFFFAOYSA-N
Smiles CCCCCC(C(=O)C)C(=O)C
InChI
InChI=1S/C10H18O2/c1-4-5-6-7-10(8(2)11)9(3)12/h10H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.36
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 34.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 27970-50-9
NORMAN SUSDAT
FDA SRS ZJL7NZY4GE
PubChem 98194
ChemSpider 88665.0