Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30917197

Structure

InChI Key FAGLUDRGGWLUKA-UHFFFAOYSA-N
Smiles O1C(=C)CCOC1CCC
InChI
InChI=1/C8H14O2/c1-3-4-8-9-6-5-7(2)10-8/h8H,2-6H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2
Molecular Weight 142.1
AlogP 2.06
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 2.0
Polar Surface Area 18.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 93917-66-9
NORMAN SUSDAT
PubChem 11971173