BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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Polyoxyethylene 23 Lauryl Ether

Graphical representations:

Polyoxyethylene 23 lauryl ether image

View large 3D structure

Molecular Formula: C14 H30 O2

Natural Isotopic Abundance Mass: 230.3868

Mono-Isotopic Molecular Masses:

  • C12N14: 230.2245802072
  • C13N14: 244.2715479364
  • C12N15: 230.2245802072
  • C13N15: 244.2715479364

InChI String: InChI=1S/C14H30O2/c1-2-3-4-5-6-7-8-9-10-11-13-16-14-12-15/h15H,2-14H2,1H3

canonical and isomeric SMILES: CCCCCCCCCCCCOCCO

PUBCHEM iupac NAME: PUBCHEM iupac OPENEYE NAME: PUBCHEM iupac CAS NAME: PUBCHEM iupac SYSTEMATIC NAME
2-dodecoxyethanol

PUBCHEM iupac TRADITIONAL NAME
2-lauryloxyethanol

PubChem Substance (SID):   111677882   167407   48423392
PubChem Compound (CID):   24750
KEGG: Compound ID   D01993
CAS Registry IDs:   503027-85-8   8027-11-0   183117-57-9   86727-31-3   869893-21-0   1334-72-1   148498-91-3   942439-95-4   234761-83-2   384842-79-9   3055-99-0   53026-66-7   152206-24-1   147398-17-2   54351-54-1   9015-55-8   798544-27-1   6540-99-4   124401-71-4   87296-34-2   39316-02-4   56590-57-9   9002-92-0   71636-71-0   56093-86-8   348616-52-4   266678-04-0   101008-55-3   137736-73-3   64772-19-6   191546-41-5   39316-41-1   106254-08-4   14675-38-8   186762-97-0   176596-95-5   69344-85-0   106856-65-9   53241-34-2   777931-72-3   56939-70-9   37343-87-6   359786-16-6   1341-05-5   141875-75-4   221642-91-7   61373-94-2   201746-17-0   875119-83-8   86547-02-6   106254-09-5   62229-27-0   234764-37-5   57244-90-3   50815-86-6   504414-58-8   935753-05-2   234761-82-1   234761-81-0   9079-21-4   148093-10-1   51426-13-2   122779-58-2   55892-94-9   31798-98-8   101840-74-8   459409-03-1   362661-71-0   12789-47-8   55599-84-3   102329-60-2   54398-17-3   66048-74-6   102342-03-0   138100-08-0   50815-85-5   176235-62-4   11106-34-6   903524-77-6   61710-38-1   71932-08-6   189388-50-9   942929-81-9   37231-23-5   39363-77-4
PDB Chemical Component   n/a
Miscellaneous Databases and IDs:   CAS 9002-92-0   MMCD cq_09312   EPA DSSTox 31296   CCRIS 3397   HSDB 4351   ChemIDplus 009002920

Reference data were obtained primarily from the PubChem database.

Three dimensional molecular rendering uses Jmol.

Atom numbering calculated using ALATIS. Citation: Hesam Dashti, William M. Westler, John L. Markley, Hamid R. Eghbalnia, "Unique identifiers for small molecules enable rigorous labeling of their atoms", Scientific Data 4, Article number: 170073 (2017), doi:10.1038/sdata.2017.73, https://www.nature.com/articles/sdata201773