Keyword(s): Human Metabolites
Molecule Category Free-form
UNII CC8H3NT3YX
EPA CompTox DTXSID30988564

Structure

InChI Key JBEZZHPFGNHYEV-UHFFFAOYSA-N
Smiles O(C)C(OC)CCC(C)C(OC)OC
InChI
InChI=1/C10H22O4/c1-8(10(13-4)14-5)6-7-9(11-2)12-3/h8-10H,6-7H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H22O4
Molecular Weight 206.15
AlogP 1.64
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 8.0
Polar Surface Area 36.92
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 68860-50-4
NORMAN SUSDAT
FDA SRS CC8H3NT3YX
PubChem 3017889