Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID201006770

Structure

InChI Key MBJVZMPEPVSKAS-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C28H56O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-27-29-28/h28H,2-27H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C28H56O
Molecular Weight 408.43
AlogP 10.16
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 25.0
Polar Surface Area 12.53
Heavy Atoms 29.0

Cross References

Resources Reference
CAS NUMBER 86370-24-3
NORMAN SUSDAT
PubChem 5744013