Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WN2UFP3A62
EPA CompTox DTXSID30984369

Structure

InChI Key AINZHCCLJXQMHM-UHFFFAOYSA-N
Smiles O=CCC(C)CCCCCC
InChI
InChI=1/C10H20O/c1-3-4-5-6-7-10(2)8-9-11/h9-10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20O
Molecular Weight 156.15
AlogP 3.18
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 65899-13-0
NORMAN SUSDAT
FDA SRS WN2UFP3A62
PubChem 3017637