Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID90886971

Structure

InChI Key CEUXMUYHMURJFZ-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCCCC
InChI
InChI=1/C19H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-18-20-19/h19H,2-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38O
Molecular Weight 282.29
AlogP 6.65
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 16.0
Polar Surface Area 12.53
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 67860-04-2
NORMAN SUSDAT
PubChem 105846