Keyword(s): Human Metabolites
Molecule Category Free-form
UNII W58CDF8S4H
EPA CompTox DTXSID2061149

Structure

InChI Key MNZAKDODWSQONA-UHFFFAOYSA-N
Smiles CCCCP(=O)(CCCC)CCCC
InChI
InChI=1S/C12H27OP/c1-4-7-10-14(13,11-8-5-2)12-9-6-3/h4-12H2,1-3H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C12H27O1P1
Molecular Weight 218.18
AlogP 4.75
Hydrogen Bond Acceptor 1.0
Number of Rotational Bond 9.0
Polar Surface Area 17.07
Heavy Atoms 14.0

Cross References

Resources Reference
CAS NUMBER 814-29-9
NORMAN SUSDAT
FDA SRS W58CDF8S4H
PubChem 13138
ChemSpider 12586.0