Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 384YJ7FK35
EPA CompTox DTXSID8065797

Structure

InChI Key AJUWUYJULVYGRA-UHFFFAOYSA-N
Smiles CCCCCCCCCCCC(OC)OC
InChI
InChI=1S/C14H30O2/c1-4-5-6-7-8-9-10-11-12-13-14(15-2)16-3/h14H,4-13H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30O2
Molecular Weight 230.22
AlogP 4.53
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 12.0
Polar Surface Area 18.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 14620-52-1
NORMAN SUSDAT
FDA SRS 384YJ7FK35
PubChem 84559
ChemSpider 76281.0