Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID50886336

Structure

InChI Key KGGLFLCEXPARDQ-UHFFFAOYSA-N
Smiles O=C1CC(C)CC(C1)CCC
InChI
InChI=1/C10H18O/c1-3-4-9-5-8(2)6-10(11)7-9/h8-9H,3-7H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.79
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 67662-98-0
NORMAN SUSDAT
PubChem 106753