Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 662W32KL4O
EPA CompTox DTXSID8047551

Structure

InChI Key YKVIWISPFDZYOW-UHFFFAOYSA-N
Smiles CCCCC1CCCCC(=O)O1
InChI
InChI=1S/C10H18O2/c1-2-3-6-9-7-4-5-8-10(11)12-9/h9H,2-8H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.66
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 5579-78-2
NORMAN SUSDAT
FDA SRS 662W32KL4O
PubChem 62583
ChemSpider 56345.0