Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID8051386

Structure

InChI Key NKMKFQCVDZVEJR-UHFFFAOYNA-N
Smiles CC1CC=CCCCCCCCCCC(=O)C1
InChI
InChI=1S/C16H28O/c1-15-12-10-8-6-4-2-3-5-7-9-11-13-16(17)14-15/h8,10,15H,2-7,9,11-14H2,1H3/b10-8+/t15-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H28O1
Molecular Weight 236.21
AlogP 5.05
Hydrogen Bond Acceptor 1.0
Polar Surface Area 17.07
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 63314-79-4
NORMAN SUSDAT
ChemSpider 57523122.0