Keyword(s): Human Metabolites
Molecule Category Free-form
UNII WC42CWY8XP
EPA CompTox DTXSID80168374

Structure

InChI Key FFROMNOQCNVNIH-UHFFFAOYSA-N
Smiles CC(C)CC1CCCCC1
InChI
InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C10H20
Molecular Weight 140.16
AlogP 3.61
Number of Rotational Bond 2.0
Heavy Atoms 10.0

Cross References

Resources Reference
CAS NUMBER 1678-98-4
NORMAN SUSDAT
FDA SRS WC42CWY8XP
PubChem 15508
ChemSpider 14755.0