Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60865935

Structure

InChI Key NVKSMKFBUGBIGE-UHFFFAOYSA-N
Smiles O(CCCCCCCCCCCCCC)CC1OC1
InChI
InChI=1/C17H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-15-17-16-19-17/h17H,2-16H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H34O2
Molecular Weight 270.26
AlogP 5.1
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 15.0
Polar Surface Area 21.76
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 38954-75-5
NORMAN SUSDAT
PubChem 38190