Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K6069P2C2A
EPA CompTox DTXSID6059780

Structure

InChI Key XQQZRZQVBFHBHL-UHFFFAOYSA-N
Smiles C1COCCOCCOCCO1
InChI
InChI=1S/C8H16O4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1-8H2

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O4
Molecular Weight 176.1
AlogP 0.07
Hydrogen Bond Acceptor 4.0
Polar Surface Area 36.92
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 294-93-9
NORMAN SUSDAT
FDA SRS K6069P2C2A
PubChem 9269
ChemSpider 8912.0