Keyword(s): Human Metabolites
Molecule Category Free-form
UNII F2S8JZM40P
EPA CompTox DTXSID20864429

Structure

InChI Key XIGFNCYVSHOLIF-UHFFFAOYSA-N
Smiles CC(=C)C1CCC(C)(O1)C=C
InChI
InChI=1S/C10H16O/c1-5-10(4)7-6-9(11-10)8(2)3/h5,9H,1-2,6-7H2,3-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O1
Molecular Weight 152.12
AlogP 2.69
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 2.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13679-86-2
NORMAN SUSDAT
FDA SRS F2S8JZM40P
PubChem 61665
ChemSpider 55570.0