Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 8HPD5L8920
EPA CompTox DTXSID20862203

Structure

InChI Key WGECXQBGLLYSFP-UHFFFAOYSA-N
Smiles CCC(C)C(C)C
InChI
InChI=1/C7H16/c1-5-7(4)6(2)3/h6-7H,5H2,1-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C7H16
Molecular Weight 100.13
AlogP 2.69
Number of Rotational Bond 2.0
Heavy Atoms 7.0

Cross References

Resources Reference
CAS NUMBER 565-59-3
NORMAN SUSDAT
FDA SRS 8HPD5L8920
PubChem 11260