Keyword(s): Human Metabolites
Molecule Category Free-form
UNII BM3287QA6N
EPA CompTox DTXSID40198152

Structure

InChI Key GOQRXDTWKVYHJH-UHFFFAOYSA-N
Smiles CC(=C)C1CCC(=C)CC1
InChI
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h10H,1,3-7H2,2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.13
AlogP 3.31
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 499-97-8
NORMAN SUSDAT
FDA SRS BM3287QA6N
PubChem 68140
ChemSpider 61448.0