Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7071159

Structure

InChI Key RLKKZSSOQABBHI-UHFFFAOYSA-N
Smiles CCCCOCCOC(C)(C)C
InChI
InChI=1S/C10H22O2/c1-5-6-7-11-8-9-12-10(2,3)4/h5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O2
Molecular Weight 174.16
AlogP 2.62
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 18.46
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 68134-24-7
NORMAN SUSDAT
PubChem 109580
ChemSpider 98495.0