Keyword(s): Human Metabolites
Molecule Category Free-form
UNII YXE6ECT5SV
EPA CompTox DTXSID00867317

Structure

InChI Key NSVOKCWMHBVBIU-UHFFFAOYSA-N
Smiles CCOC(C)OCC(COC(C)OCC)OC(C)OCC
InChI
InChI=1S/C15H32O6/c1-7-16-12(4)19-10-15(21-14(6)18-9-3)11-20-13(5)17-8-2/h12-15H,7-11H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H32O6
Molecular Weight 308.22
AlogP 2.55
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 14.0
Polar Surface Area 55.38
Heavy Atoms 21.0

Cross References

Resources Reference
CAS NUMBER 67715-82-6
NORMAN SUSDAT
FDA SRS YXE6ECT5SV