Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8U6AS2VE7S
EPA CompTox DTXSID90212079

Structure

InChI Key IYDNQWWOZQLMRH-UHFFFAOYSA-N
Smiles C#CCCCCCCCCCCCCCCCC
InChI
InChI=1/C18H34/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h1H,4-18H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H34
Molecular Weight 250.27
AlogP 6.49
Number of Rotational Bond 14.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 629-89-0
NORMAN SUSDAT
FDA SRS 8U6AS2VE7S
PubChem 69425