Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4052398

Structure

InChI Key KPODJTXDIIOWSY-UHFFFAOYSA-N
Smiles CCCCC1(CC)CCC(=O)O1
InChI
InChI=1S/C10H18O2/c1-3-5-7-10(4-2)8-6-9(11)12-10/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.66
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 4.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 68188-98-7
NORMAN SUSDAT
PubChem 109209
ChemSpider 98199.0