Keyword(s): Human Metabolites
Molecule Category Free-form
UNII EA3NWA96LK
EPA CompTox DTXSID20236182

Structure

InChI Key QDCJIPFNVBDLRH-UHFFFAOYSA-N
Smiles CC1(C)COCOC1
InChI
InChI=1S/C6H12O2/c1-6(2)3-7-5-8-4-6/h3-5H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O2
Molecular Weight 116.08
AlogP 1.02
Hydrogen Bond Acceptor 2.0
Polar Surface Area 18.46
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 872-98-0
NORMAN SUSDAT
FDA SRS EA3NWA96LK
PubChem 70109
ChemSpider 63297.0