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

Structure

InChI Key HEAYDCIZOFDHRM-UHFFFAOYSA-N
Smiles O1CC1C(C)(C)C
InChI
InChI=1/C6H12O/c1-6(2,3)5-4-7-5/h5H,4H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C6H12O
Molecular Weight 100.09
AlogP 1.43
Hydrogen Bond Acceptor 1.0
Polar Surface Area 12.53
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 2245-30-9
NORMAN SUSDAT
PubChem 92174