Ketcher 02241617002D 1   1.00000     0.00000     0

 28 27  0     0  0            999 V2000
    9.1533   -8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0192   -9.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8852   -8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7514   -9.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4834   -9.0938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6174   -8.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6175  -10.5940    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4834  -10.0939    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7514  -10.0942    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0192  -10.0945    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8854  -10.5944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1534  -10.5947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2872  -10.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4212  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5552  -10.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891  -10.5949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8231  -10.0949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0911  -10.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250  -11.5948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250  -10.5949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0910  -12.0949    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229  -12.0952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9571  -11.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6891  -11.5954    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4213  -11.5957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5551  -12.0956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2871  -12.0959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  6  1  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  7  9  1  0     0  0
  9 11  1  0     0  0
 10 11  1  0     0  0
 10 12  1  0     0  0
  5  8  1  0     0  0
 12 13  1  0     0  0
 13 14  1  0     0  0
 14 15  1  0     0  0
 15 16  1  0     0  0
 16 18  1  0     0  0
 17 18  1  0     0  0
 17 19  1  0     0  0
 19 21  1  0     0  0
 20 21  1  0     0  0
 20 22  1  0     0  0
 22 24  1  0     0  0
 23 24  1  0     0  0
 23 25  1  0     0  0
 25 27  1  0     0  0
 26 27  1  0     0  0
 26 28  1  0     0  0
M  END
> <ID>
CHEBI:91323

> <NAME>
laureth-5

> <DEFINITION>
A hydroxypolyether that is pentaethylene glycol in which one of the terminal hydrogens is replaced by a dodecyl group.

> <STAR>
3

> <SYNONYM>
Polyoxyethylene (5) lauryl ether; Polyethylene glycol (5) lauryl ether; Pentaoxyethylene monododecyl ether; Pentaethylene glycol monododecyl ether; Pentaethylene glycol lauryl ether; PEG-5 Lauryl ether; C12E5

> <IUPAC_NAME>
3,6,9,12,15-pentaoxaheptacosan-1-ol

> <FORMULA>
C22H46O6

> <MASS>
406.598

> <MONOISOTOPIC_MASS>
406.32944

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCOCCOCCOCCOCCOCCO

> <INCHI>
InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3

> <INCHIKEY>
LAPRIVJANDLWOK-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
3055-95-6

> <REAXYS_REGISTRY_NUMBER>
1797921

> <CHEMIDPLUS>
3055-95-6

> <WIKIPEDIA_ACCESSION>
Pentaethylene_glycol_monododecyl_ether

> <PUBMED_CITATION>
12755586; 23574254; 24156286; 24372090; 24568715; 25682837; 26335845; 26381055; 26717264

$$$$