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

Structure

InChI Key JXBSHSBNOVLGHF-UHFFFAOYSA-N
Smiles CC=C(C)CCC=C(C)CCC=C(C)C
InChI
InChI=1S/C15H26/c1-6-14(4)10-8-12-15(5)11-7-9-13(2)3/h6,9,12H,7-8,10-11H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26
Molecular Weight 206.2
AlogP 5.43
Number of Rotational Bond 6.0
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 7681-88-1
NORMAN SUSDAT