Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90885520

Structure

InChI Key BGKKZLRPGJYFIP-UHFFFAOYSA-N
Smiles OCC1CC1CC
InChI
InChI=1/C6H12O/c1-2-5-3-6(5)4-7/h5-7H,2-4H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O
Molecular Weight 100.09
AlogP 1.02
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 20.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 31915-75-0
NORMAN SUSDAT
PubChem 169980