Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 30YQY8O31P
EPA CompTox DTXSID70862051

Structure

InChI Key GGAXPLCKKANQED-UHFFFAOYSA-N
Smiles CC(C)C1CCC(C)CC(=O)O1
InChI
InChI=1S/C10H18O2/c1-7(2)9-5-4-8(3)6-10(11)12-9/h7-9H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.37
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 1.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 499-54-7
NORMAN SUSDAT
FDA SRS 30YQY8O31P
PubChem 62349
ChemSpider 56140.0