Keyword(s): Human Metabolites
Molecule Category Free-form
UNII AN4VH743PG
EPA CompTox DTXSID70973050

Structure

InChI Key GFKHGDDHRNDUDP-UHFFFAOYSA-N
Smiles O=C1OC(CCCC1)C(C)(C)C
InChI
InChI=1/C10H18O2/c1-10(2,3)8-6-4-5-7-9(11)12-8/h8H,4-7H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.52
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 57512-44-4
NORMAN SUSDAT
FDA SRS AN4VH743PG
PubChem 93691