Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID00886109

Structure

InChI Key BUOGADDGOQWWDH-ONEGZZNKSA-N
Smiles C(#CCCCCCCCCOC1OCCCC1)C=CCC
InChI
InChI=1/C19H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-14-17-20-19-16-13-15-18-21-19/h3-4,19H,2,7-18H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H32O2
Molecular Weight 292.24
AlogP 5.23
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 10.0
Polar Surface Area 18.46
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 54664-77-6
NORMAN SUSDAT
PubChem 6437393