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

Structure

InChI Key HSGUJTMCFWXGAP-FNORWQNLSA-N
Smiles O=CCCCCCCC=CCCCCC(C)CC
InChI
InChI=1/C17H32O/c1-3-17(2)15-13-11-9-7-5-4-6-8-10-12-14-16-18/h5,7,16-17H,3-4,6,8-15H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C17H32O
Molecular Weight 252.25
AlogP 5.69
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 13.0
Polar Surface Area 17.07
Heavy Atoms 18.0

Cross References

Resources Reference
CAS NUMBER 60609-52-1
NORMAN SUSDAT
PubChem 6073809