Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 0DI2GU512F
EPA CompTox DTXSID3051965

Structure

InChI Key QILMAYXCYBTEDM-UHFFFAOYSA-N
Smiles O=C1CCCCCCCC=C/CCCCCCO1
InChI
InChI=1/C16H28O2/c17-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18-16/h1,3H,2,4-15H2

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 28645-51-4
NORMAN SUSDAT
FDA SRS 0DI2GU512F