Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40963448

Structure

InChI Key BPTGWPMLXFRPHK-UHFFFAOYSA-N
Smiles OC1CCCCCC2OC12
InChI
InChI=1/C8H14O2/c9-6-4-2-1-3-5-7-8(6)10-7/h6-9H,1-5H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H14O2
Molecular Weight 142.1
AlogP 1.08
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Polar Surface Area 32.76
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 45828-32-8
NORMAN SUSDAT
PubChem 6452035