Keyword(s): Human Metabolites
Molecule Category Free-form
UNII O8GK4E0CVL
EPA CompTox DTXSID4025246

Structure

InChI Key QBJWYMFTMJFGOL-UHFFFAOYNA-N
Smiles CCCCCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17-19-18/h18H,2-17H2,1H3/t18-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C18H36O1
Molecular Weight 268.28
AlogP 6.26
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 15.0
Polar Surface Area 12.53
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 7390-81-0
NORMAN SUSDAT
FDA SRS O8GK4E0CVL
ChemSpider 22319.0