Keyword(s): Human Metabolites
Molecule Category Free-form
UNII FJ62QR3MEQ
EPA CompTox DTXSID4068034

Structure

InChI Key QACBYNLZEUNZSC-UHFFFAOYSA-N
Smiles COC1(C)CCCCCCCCCCC1
InChI
InChI=1S/C14H28O/c1-14(15-2)12-10-8-6-4-3-5-7-9-11-13-14/h3-13H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H28O1
Molecular Weight 212.21
AlogP 4.7
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 1.0
Polar Surface Area 9.23
Heavy Atoms 15.0

Cross References

Resources Reference
CAS NUMBER 37514-30-0
NORMAN SUSDAT
FDA SRS FJ62QR3MEQ
PubChem 161949
ChemSpider 142236.0