Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N4C8252SKW
EPA CompTox DTXSID0051994

Structure

InChI Key ZGEHHVDYDNXYMW-OWOJBTEDSA-N
Smiles O=C1CCCCCCC/C=C/CCCCCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h1-2H,3-15H2/b2-1+

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28O1
Molecular Weight 236.21
AlogP 5.2
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 3100-36-5
NORMAN SUSDAT
FDA SRS N4C8252SKW
PubChem 6365152
ChemSpider 4895976.0