Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 9XHN8GPC98
EPA CompTox DTXSID00202688

Structure

InChI Key AXDFTMWKPNDOPE-UHFFFAOYSA-N
Smiles CCCCCCCCC1OCCO1
InChI
InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-11-12-9-10-13-11/h11H,2-10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H22O2
Molecular Weight 186.16
AlogP 3.11
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 18.46
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 5432-30-4
NORMAN SUSDAT
FDA SRS 9XHN8GPC98
PubChem 79486
ChemSpider 71799.0