Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 772Y4UFC8B

Structure

InChI Key IIGMITQLXAGZTL-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCCCCC(=O)OCCCCCCCC
InChI
InChI=1/C26H52O2/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26(27)28-25-23-21-10-8-6-4-2/h3-25H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H52O2
Molecular Weight 396.4
AlogP 9.15
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 23.0
Polar Surface Area 26.3
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 109-36-4
NORMAN SUSDAT
FDA SRS 772Y4UFC8B