Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID60887470

Structure

InChI Key IVWCKBUPHQKJNH-UHFFFAOYSA-N
Smiles O=C(OCCCC)C(O)OCCCC
InChI
InChI=1/C10H20O4/c1-3-5-7-13-9(11)10(12)14-8-6-4-2/h9,11H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O4
Molecular Weight 204.14
AlogP 1.46
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 8.0
Polar Surface Area 55.76
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68575-73-5
NORMAN SUSDAT
PubChem 109478