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

Structure

InChI Key VHAXNXDRZSLKOX-UHFFFAOYSA-N
Smiles O1CC1CCCCCCCCCCCCCCCCCCCCCCCC
InChI
InChI=1/C26H52O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26-25-27-26/h26H,2-25H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H52O
Molecular Weight 380.4
AlogP 9.38
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 23.0
Polar Surface Area 12.53
Heavy Atoms 27.0

Cross References

Resources Reference
CAS NUMBER 86370-25-4
NORMAN SUSDAT
PubChem 5744014