Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YVF4FS3AXT
EPA CompTox DTXSID70885149

Structure

InChI Key HGJAQCVKJLUCKW-UHFFFAOYSA-N
Smiles O=C(OCCCCCC)C(CC)CCCC
InChI
InChI=1/C14H28O2/c1-4-7-9-10-12-16-14(15)13(6-3)11-8-5-2/h13H,4-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O2
Molecular Weight 228.21
AlogP 4.33
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 26.3
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 20748-87-2
NORMAN SUSDAT
FDA SRS YVF4FS3AXT
PubChem 89379