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

Structure

InChI Key AMUBFTQQLDHNQU-SEYXRHQNSA-N
Smiles O=C(OCCCC)CCCCCCCCCCCC=CCCCCCCCC
InChI
InChI=1/C26H50O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-26(27)28-25-6-4-2/h12-13H,3-11,14-25H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H50O2
Molecular Weight 394.38
AlogP 8.93
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 22.0
Polar Surface Area 26.3
Heavy Atoms 28.0

Cross References

Resources Reference
CAS NUMBER 19773-46-7
NORMAN SUSDAT
PubChem 6436513