Keyword(s): Human Metabolites
Molecule Category Free-form
UNII RS4Q9TL3JM
EPA CompTox DTXSID20975246

Structure

InChI Key GQJUQRHPTSAQNQ-UHFFFAOYSA-N
Smiles O1CC=C(C)CC1CC(C)C
InChI
InChI=1/C10H18O/c1-8(2)6-10-7-9(3)4-5-11-10/h4,8,10H,5-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.77
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 59848-69-0
NORMAN SUSDAT
FDA SRS RS4Q9TL3JM
PubChem 108400