Keyword(s): Human Metabolites
Molecule Category Free-form
UNII P5EAX722SI
EPA CompTox DTXSID2062240

Structure

InChI Key CDKDZKXSXLNROY-UHFFFAOYSA-N
Smiles CCCCCCCCc1ccccc1
InChI
InChI=1S/C14H22/c1-2-3-4-5-6-8-11-14-12-9-7-10-13-14/h7,9-10,12-13H,2-6,8,11H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H22
Molecular Weight 190.17
AlogP 4.59
Number of Rotational Bond 7.0
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 2189-60-8
NORMAN SUSDAT
FDA SRS P5EAX722SI
PubChem 16607
ChemSpider 15747.0