Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80880807

Structure

InChI Key SBMIKEMQTOPDTC-UHFFFAOYSA-N
Smiles C=1C=CC2=C(C1)C(C)CCC2CCCCCCC
InChI
InChI=1/C18H28/c1-3-4-5-6-7-10-16-14-13-15(2)17-11-8-9-12-18(16)17/h8-9,11-12,15-16H,3-7,10,13-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H28
Molecular Weight 244.22
AlogP 6.03
Number of Rotational Bond 6.0
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 55682-84-3
NORMAN SUSDAT
PubChem 108350