Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 4URL39XW4J
EPA CompTox DTXSID40916530

Structure

InChI Key DHBWTBZYMOTKID-UHFFFAOYSA-N
Smiles O=CCCC(C)CCCCC
InChI
InChI=1/C10H20O/c1-3-4-5-7-10(2)8-6-9-11/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 94088-30-9
NORMAN SUSDAT
FDA SRS 4URL39XW4J
PubChem 3023476