Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40885712

Structure

InChI Key HAGATCKFXSBCCQ-UHFFFAOYSA-N
Smiles OCCC(C)CCCC(OC)(C)C
InChI
InChI=1/C11H24O2/c1-10(7-9-12)6-5-8-11(2,3)13-4/h10,12H,5-9H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C11H24O2
Molecular Weight 188.18
AlogP 2.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 29.46
Heavy Atoms 13.0

Cross References

Resources Reference
CAS NUMBER 38376-28-2
NORMAN SUSDAT
PubChem 170041