Keyword(s): Human Metabolites
Molecule Category Free-form
UNII Z4GO9P8SUZ
EPA CompTox DTXSID3060114

Structure

InChI Key IIRFCWANHMSDCG-UHFFFAOYSA-N
Smiles O=C1CCCCCCC1
InChI
InChI=1S/C8H14O/c9-8-6-4-2-1-3-5-7-8/h1-7H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O1
Molecular Weight 126.1
AlogP 2.3
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 502-49-8
NORMAN SUSDAT
FDA SRS Z4GO9P8SUZ
PubChem 10403
ChemSpider 9974.0