Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID20160731

Structure

InChI Key LZAKUZBAAQDJCF-UHFFFAOYSA-N
Smiles CC1(C)COC(=O)C1
InChI
InChI=1S/C6H10O2/c1-6(2)3-5(7)8-4-6/h3-4H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H10O2
Molecular Weight 114.07
AlogP 0.96
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 8.0

Cross References

Resources Reference
CAS NUMBER 13861-97-7
NORMAN SUSDAT
PubChem 26312
ChemSpider 24516.0