Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 502V1W8KD4
EPA CompTox DTXSID40211451

Structure

InChI Key MKJDUHZPLQYUCB-UHFFFAOYSA-N
Smiles CCCCCCC(=O)CCC
InChI
InChI=1S/C10H20O/c1-3-5-6-7-9-10(11)8-4-2/h3-9H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O
Molecular Weight 156.15
AlogP 3.33
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 624-16-8
NORMAN SUSDAT
FDA SRS 502V1W8KD4
PubChem 12203
ChemSpider 11703.0