Keyword(s): Human Metabolites
Molecule Category Free-form
UNII L37F145LOT

Structure

InChI Key RMZFJNNOMUICLE-UHFFFAOYSA-N
Smiles CCCCCC(=O)OCC(C)OC(=O)CCCCC
InChI
InChI=1S/C15H28O4/c1-4-6-8-10-14(16)18-12-13(3)19-15(17)11-9-7-5-2/h13H,4-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C15H28O4
Molecular Weight 272.2
AlogP 3.62
Hydrogen Bond Acceptor 4.0
Number of Rotational Bond 11.0
Polar Surface Area 52.6
Heavy Atoms 19.0

Cross References

Resources Reference
CAS NUMBER 50343-36-7
NORMAN SUSDAT
FDA SRS L37F145LOT