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

Structure

InChI Key DKGAVHZHDRPRBM-UICOGKGYSA-N
Smiles [2H]OC(C)(C)C
InChI
InChI=1S/C4H10O/c1-4(2,3)5/h5H,1-3H3/i5D

Physicochemical Descriptors

Property Name Value
Molecular Formula C4H10O1
Molecular Weight 75.08
AlogP 0.78
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Polar Surface Area 20.23
Heavy Atoms 5.0

Cross References

Resources Reference
CAS NUMBER 3972-25-6
NORMAN SUSDAT