Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID801001811

Structure

InChI Key JCGRTWRFDLWVDA-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C24H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-23-25-24/h24H,2-23H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C24H48O
Molecular Weight 352.37
AlogP 8.6
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 21.0
Polar Surface Area 12.53
Heavy Atoms 25.0

Cross References

Resources Reference
CAS NUMBER 81148-78-9
NORMAN SUSDAT
PubChem 5743698