Keyword(s): Human Metabolites
Molecule Category Free-form
UNII MNA54SZ3RD
EPA CompTox DTXSID4068408

Structure

InChI Key HPTIDIPGIUCQFC-UHFFFAOYSA-N
Smiles COCOC1CCCCCCCCCCC1
InChI
InChI=1S/C14H28O2/c1-15-13-16-14-11-9-7-5-3-2-4-6-8-10-12-14/h14H,2-13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O2
Molecular Weight 228.21
AlogP 4.28
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 18.46
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 42604-12-6
NORMAN SUSDAT
FDA SRS MNA54SZ3RD
PubChem 162061
ChemSpider 142330.0