Keyword(s): Food Contact Chemicals
Molecule Category Free-form
EPA CompTox DTXSID5075313

Structure

InChI Key ZGPBOPXFOJBLIV-UHFFFAOYSA-N
Smiles O=C(OOC(=O)OCCCC)OCCCC
InChI
InChI=1/C10H18O6/c1-3-5-7-13-9(11)15-16-10(12)14-8-6-4-2/h3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O6
Molecular Weight 234.11
AlogP 2.81
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 6.0
Polar Surface Area 71.06
Heavy Atoms 16.0

Cross References

Resources Reference
CAS NUMBER 16215-49-9
NORMAN SUSDAT
PubChem 61830