Keyword(s): Human Metabolites
Molecule Category Free-form
UNII E95EW4P4BA
EPA CompTox DTXSID90988565

Structure

InChI Key SVZYBMYDBLEYPG-UHFFFAOYSA-N
Smiles O(C)C(OC)CC(CC)C(OC)OC
InChI
InChI=1/C10H22O4/c1-6-8(10(13-4)14-5)7-9(11-2)12-3/h8-10H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O4
Molecular Weight 206.15
AlogP 1.64
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 36.92
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68860-51-5
NORMAN SUSDAT
FDA SRS E95EW4P4BA
PubChem 3017890