Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID7070557

Structure

InChI Key CFIXYAOLNMNXPL-UHFFFAOYSA-N
Smiles O=C1CCCCCCCCCCC/C=CCC1
InChI
InChI=1S/C16H28O/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-16/h8,10H,1-7,9,11-15H2/b10-8+

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 67674-50-4
NORMAN SUSDAT
PubChem 105538
ChemSpider 4941700.0