Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 7D1TL44GPC
EPA CompTox DTXSID70863164

Structure

InChI Key NDVASEGYNIMXJL-NXEZZACHSA-N
Smiles CC(C)C12CC1C(=C)CC2
InChI
InChI=1S/C10H16/c1-7(2)10-5-4-8(3)9(10)6-10/h7,9H,3-6H2,1-2H3/t9-,10-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H16
Molecular Weight 136.13
AlogP 3.0
Number of Rotational Bond 1.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 3387-41-5
NORMAN SUSDAT
FDA SRS 7D1TL44GPC
PubChem 10887971
ChemSpider 9063235.0