Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID30189554

Structure

InChI Key KRMLKIYWYMUWHP-UHFFFAOYSA-N
Smiles CCCCCCCCCCCCCCC(=O)OCCCC
InChI
InChI=1S/C19H38O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-19(20)21-18-6-4-2/h3-18H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H38O2
Molecular Weight 298.29
AlogP 6.42
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 16.0
Polar Surface Area 26.3
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 35996-97-5
NORMAN SUSDAT
PubChem 3015831
ChemSpider 2283890.0