Keyword(s): Human Metabolites
Molecule Category Free-form
UNII K67YZ97W6C
EPA CompTox DTXSID3061922

Structure

InChI Key XPQPWPZFBULGKT-UHFFFAOYSA-N
Smiles CCCCCCCCCCC(=O)OC
InChI
InChI=1S/C12H24O2/c1-3-4-5-6-7-8-9-10-11-12(13)14-2/h3-11H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H24O2
Molecular Weight 200.18
AlogP 3.69
Hydrogen Bond Acceptor 2.0
Number of Rotational Bond 9.0
Polar Surface Area 26.3
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 1731-86-8
NORMAN SUSDAT
FDA SRS K67YZ97W6C
PubChem 15607
ChemSpider 14847.0