Keyword(s): Human Metabolites
Molecule Category Free-form
UNII 72DU7F2YXZ
EPA CompTox DTXSID1041473

Structure

InChI Key IXFAFGFZFQHRLB-UHFFFAOYSA-N
Smiles CCOCCOCCOCCOCCOCCOCC
InChI
InChI=1S/C14H30O6/c1-3-15-5-7-17-9-11-19-13-14-20-12-10-18-8-6-16-4-2/h3-14H2,1-2H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C14H30O6
Molecular Weight 294.2
AlogP 1.13
Hydrogen Bond Acceptor 6.0
Number of Rotational Bond 17.0
Polar Surface Area 55.38
Heavy Atoms 20.0

Cross References

Resources Reference
CAS NUMBER 23601-39-0
NORMAN SUSDAT
FDA SRS 72DU7F2YXZ
PubChem 90206
ChemSpider 81438.0