Keyword(s): Human Metabolites
Molecule Category Free-form
EPA CompTox DTXSID40884720

Structure

InChI Key XSDYMDMXNRPZHU-UHFFFAOYSA-N
Smiles CC1(C)CCCC(C)(O1)C#C
InChI
InChI=1S/C10H16O/c1-5-10(4)8-6-7-9(2,3)11-10/h1H,6-8H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16O1
Molecular Weight 152.12
AlogP 2.36
Hydrogen Bond Acceptor 1.0
Polar Surface Area 9.23
Heavy Atoms 11.0

Cross References

Resources Reference
CAS NUMBER 13837-60-0
NORMAN SUSDAT
PubChem 114570
ChemSpider 102621.0