Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FDC453K549
EPA CompTox DTXSID901314180

Structure

InChI Key RQRZJFGMCFXEQO-UHFFFAOYSA-N
Smiles O=CC=C(C)CCCC(C)C
InChI
InChI=1/C10H18O/c1-9(2)5-4-6-10(3)7-8-11/h7-9H,4-6H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18O
Molecular Weight 154.14
AlogP 2.96
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 17.07
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 57784-35-7
NORMAN SUSDAT
FDA SRS FDC453K549
PubChem 92646