Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9T7S69J4PS
EPA CompTox DTXSID1060471

Structure

InChI Key UHHKSVZZTYJVEG-UHFFFAOYSA-N
Smiles C1CCCOCC1
InChI
InChI=1S/C6H12O/c1-2-4-6-7-5-3-1/h1-6H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O1
Molecular Weight 100.09
AlogP 1.58
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 592-90-5
NORMAN SUSDAT
FDA SRS 9T7S69J4PS
PubChem 11618
ChemSpider 11129.0