Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID2071570

Structure

InChI Key QZLXMANORVOJAO-UHFFFAOYSA-N
Smiles CCCCCCCCCCOCC(OC)OC
InChI
InChI=1S/C14H30O3/c1-4-5-6-7-8-9-10-11-12-17-13-14(15-2)16-3/h14H,4-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30O3
Molecular Weight 246.22
AlogP 3.76
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 13.0
Polar Surface Area 27.69
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 68480-20-6
NORMAN SUSDAT
PubChem 110367
ChemSpider 99093.0