Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID80975222

Structure

InChI Key AOLAMWZAGOXVJB-UHFFFAOYSA-N
Smiles O=C(OC)C1C(C(OC)OC)C1(C)C
InChI
InChI=1/C10H18O4/c1-10(2)6(8(11)12-3)7(10)9(13-4)14-5/h6-7,9H,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O4
Molecular Weight 202.12
AlogP 1.05
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 4.0
Polar Surface Area 44.76
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 59829-77-5
NORMAN SUSDAT
PubChem 108395