Keyword(s): Human Metabolites
Molecule Category Free-form
UNII LS5LA2BUG0
EPA CompTox DTXSID8029234

Structure

InChI Key FUDNBFMOXDUIIE-UHFFFAOYSA-N
Smiles CC(CCC=C(C)C)C=C
InChI
InChI=1S/C10H18/c1-5-10(4)8-6-7-9(2)3/h5,7,10H,1,6,8H2,2-4H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H18
Molecular Weight 138.14
AlogP 3.55
Number of Rotational Bond 4.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 2436-90-0
NORMAN SUSDAT
FDA SRS LS5LA2BUG0
PubChem 17090
ChemSpider 16175.0