Keyword(s): Human Metabolites
Molecule Category Free-form
UNII KIR29W0BP0
EPA CompTox DTXSID5051529

Structure

InChI Key UZILCZKGXMQEQR-UHFFFAOYSA-N
Smiles CCCCCCCCCCc1ccccc1
InChI
InChI=1S/C16H26/c1-2-3-4-5-6-7-8-10-13-16-14-11-9-12-15-16/h9,11-12,14-15H,2-8,10,13H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H26
Molecular Weight 218.2
AlogP 5.37
Number of Rotational Bond 9.0
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 104-72-3
NORMAN SUSDAT
FDA SRS KIR29W0BP0
PubChem 7716
ChemSpider 7430.0