Keyword(s): Human Metabolites
Molecule Category Free-form
UNII N2B6BZ2VGT
EPA CompTox DTXSID90276055

Structure

InChI Key UWEYUMKZEVARAF-UHFFFAOYSA-N
Smiles CC(C)CC(=O)OC1C(C)(C)C2CCC1(C)C2
InChI
InChI=1S/C15H26O2/c1-10(2)8-12(16)17-13-14(3,4)11-6-7-15(13,5)9-11/h10-11,13H,6-9H2,1-5H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H26O2
Molecular Weight 238.19
AlogP 3.79
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 3.0
Polar Surface Area 26.3
Heavy Atoms 17.0

Cross References

Resources Reference
CAS NUMBER 613-40-1
NORMAN SUSDAT
FDA SRS N2B6BZ2VGT
PubChem 108377
ChemSpider 97436.0