Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4QA3UZ5A2H
EPA CompTox DTXSID90158049

Structure

InChI Key WTVNFKVGGUWHQC-UHFFFAOYSA-N
Smiles O=C(C)CC(=O)CCCCCC
InChI
InChI=1/C10H18O2/c1-3-4-5-6-7-10(12)8-9(2)11/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O2
Molecular Weight 170.13
AlogP 2.51
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 7.0
Polar Surface Area 34.14
Heavy Atoms 12.0

Cross References

Resources Reference
CAS NUMBER 13329-78-7
NORMAN SUSDAT
FDA SRS 4QA3UZ5A2H
PubChem 83349