Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7072595

Structure

InChI Key KUZFTOAYXWRQAA-UHFFFAOYSA-N
Smiles O=C1CCCCCC/C=CCCCCCC1
InChI
InChI=1S/C15H26O/c16-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-15/h1-2H,3-14H2/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O1
Molecular Weight 222.2
AlogP 4.81
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 72785-16-1
NORMAN SUSDAT
PubChem 175158
ChemSpider 4946141.0