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

Structure

InChI Key GDFUGKICRHMMOT-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCC(C)c1ccccc1
InChI
InChI=1S/C20H34/c1-3-4-5-6-7-8-9-10-11-13-16-19(2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C20H34
Molecular Weight 274.27
AlogP 7.1
Number of Rotational Bond 12.0
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 4534-59-2
NORMAN SUSDAT