Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8KH5U4Y92L
EPA CompTox DTXSID00236645

Structure

InChI Key UPOSSYJVWXLPTA-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCC1
InChI
InChI=1/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H20O
Molecular Weight 168.15
AlogP 3.47
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 878-13-7
NORMAN SUSDAT
FDA SRS 8KH5U4Y92L
PubChem 13420