Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40887317

Structure

InChI Key RPALXJBZCMATOD-UHFFFAOYSA-N
Smiles O(CC)C1OC(OC(CCC)C1)CCC
InChI
InChI=1/C12H24O3/c1-4-7-10-9-12(13-6-3)15-11(14-10)8-5-2/h10-12H,4-9H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O3
Molecular Weight 216.17
AlogP 3.08
Hydrogen Bond Acceptor 3.0
Number of Rotational Bond 6.0
Polar Surface Area 27.69
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 68298-35-1
NORMAN SUSDAT
PubChem 109276