Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID4066044

Structure

InChI Key LBTDHCQNAQRHCE-UHFFFAOYSA-N
Smiles OCCOC1CCC(CC1)OCCO
InChI
InChI=1S/C10H20O4/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h9-12H,1-8H2/t9-,10+

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O4
Molecular Weight 204.14
AlogP 0.32
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 58.92
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 16394-44-8
NORMAN SUSDAT
PubChem 85394
ChemSpider 77016.0