Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 095I377U8F
EPA CompTox DTXSID20881237

Structure

InChI Key NVIPUOMWGQAOIT-RQOWECAXSA-N
Smiles O=C1CCCCCC=C/CCCCCCCCO1
InChI
InChI=1S/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h2,4H,1,3,5-15H2/b4-2-

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28O2
Molecular Weight 252.21
AlogP 4.78
Hydrogen Bond Acceptor 2.0
Polar Surface Area 26.3
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 123-69-3
NORMAN SUSDAT
FDA SRS 095I377U8F
PubChem 5365703
ChemSpider 4476599.0