Keyword(s): Human Metabolites
Molecule Category Free-form
UNII J663295D5W
EPA CompTox DTXSID10186667

Structure

InChI Key UPOMCDPCTBJJDA-UHFFFAOYSA-N
Smiles CC(C)COC(C)(C)C
InChI
InChI=1S/C8H18O/c1-7(2)6-9-8(3,4)5/h7H,6H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H18O1
Molecular Weight 130.14
AlogP 2.46
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 9.0

Cross References

Resources Reference
CAS NUMBER 33021-02-2
NORMAN SUSDAT
FDA SRS J663295D5W
PubChem 118384
ChemSpider 105807.0