Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30177971

Structure

InChI Key BDNXUVOJBGHQFD-UHFFFAOYSA-N
Smiles OC1CCCC(O)CCC1
InChI
InChI=1S/C8H16O2/c9-7-3-1-4-8(10)6-2-5-7/h7-10H,1-6H2/t7-,8+

Physicochemical Descriptors

Property Name Value
Molecular Formula C8H16O2
Molecular Weight 144.12
AlogP 1.06
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Polar Surface Area 40.46
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 23418-82-8
NORMAN SUSDAT
PubChem 90092
ChemSpider 81098.0