
 19327-39-0

 55 54  0  0  0  0  0  0  0  0999 V2000
    0.8927   -0.0778    0.1042 C   0  0  0  0  0
    2.4108   -0.0569    0.1771 C   0  0  0  0  0
    2.9603    1.3651    0.0624 C   0  0  0  0  0
    4.4882    1.3732    0.1263 C   0  0  0  0  0
    5.0451    2.7945    0.0366 C   0  0  0  0  0
    6.5736    2.7922    0.0852 C   0  0  0  0  0
    7.1355    4.2100    0.0155 C   0  0  0  0  0
    8.6587    4.2092    0.0466 C   0  0  0  0  0
    9.1093    5.5626   -0.0000 O   0  0  0  0  0
   10.5338    5.6351    0.0018 C   0  0  0  0  0
   10.9713    7.0945   -0.0091 C   0  0  0  0  0
   12.3969    7.1499   -0.0161 O   0  0  0  0  0
   12.8710    8.4954    0.0108 C   0  0  0  0  0
   14.3949    8.4846   -0.0250 C   0  0  0  0  0
   14.8812    9.8249    0.0202 O   0  0  0  0  0
   16.3075    9.8618   -0.0443 C   0  0  0  0  0
   16.7733   11.3089    0.0548 C   0  0  0  0  0
   18.1970   11.3622   -0.0382 O   0  0  0  0  0
   18.6755   12.6958    0.1202 C   0  0  0  0  0
   20.1949   12.7144   -0.0058 C   0  0  0  0  0
   20.7012   14.0354    0.1481 O   0  0  0  0  0
    0.5236   -1.1042    0.1956 H   0  0  0  0  0
    0.5401    0.3260   -0.8501 H   0  0  0  0  0
    0.4524    0.5146    0.9126 H   0  0  0  0  0
    2.8179   -0.6795   -0.6281 H   0  0  0  0  0
    2.7311   -0.5031    1.1257 H   0  0  0  0  0
    2.5538    1.9827    0.8727 H   0  0  0  0  0
    2.6295    1.8131   -0.8827 H   0  0  0  0  0
    4.8921    0.7677   -0.6942 H   0  0  0  0  0
    4.8190    0.9090    1.0634 H   0  0  0  0  0
    4.6514    3.3965    0.8644 H   0  0  0  0  0
    4.7081    3.2649   -0.8949 H   0  0  0  0  0
    6.9662    2.1993   -0.7501 H   0  0  0  0  0
    6.9114    2.3094    1.0106 H   0  0  0  0  0
    6.7549    4.8110    0.8505 H   0  0  0  0  0
    6.7919    4.7116   -0.8976 H   0  0  0  0  0
    9.0549    3.6605   -0.8159 H   0  0  0  0  0
    9.0194    3.7366    0.9675 H   0  0  0  0  0
   10.9364    5.1205   -0.8790 H   0  0  0  0  0
   10.9360    5.1365    0.8920 H   0  0  0  0  0
   10.5760    7.6085    0.8756 H   0  0  0  0  0
   10.5706    7.5990   -0.8973 H   0  0  0  0  0
   12.5220    8.9993    0.9204 H   0  0  0  0  0
   12.4820    9.0512   -0.8510 H   0  0  0  0  0
   14.7397    7.9884   -0.9397 H   0  0  0  0  0
   14.7818    7.9167    0.8294 H   0  0  0  0  0
   16.6517    9.4213   -0.9876 H   0  0  0  0  0
   16.7387    9.2762    0.7765 H   0  0  0  0  0
   16.4403   11.7383    1.0071 H   0  0  0  0  0
   16.3257   11.9001   -0.7529 H   0  0  0  0  0
   18.3814   13.0881    1.1004 H   0  0  0  0  0
   18.2339   13.3452   -0.6456 H   0  0  0  0  0
   20.5130   12.3206   -0.9773 H   0  0  0  0  0
   20.6479   12.0768    0.7607 H   0  0  0  0  0
   20.3693   14.5637   -0.5978 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 31  1  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 33  1  0  0  0
  6 34  1  0  0  0
  7  8  1  0  0  0
  7 35  1  0  0  0
  7 36  1  0  0  0
  8  9  1  0  0  0
  8 37  1  0  0  0
  8 38  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 10 40  1  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 11 42  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 43  1  0  0  0
 13 44  1  0  0  0
 14 15  1  0  0  0
 14 45  1  0  0  0
 14 46  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 47  1  0  0  0
 16 48  1  0  0  0
 17 18  1  0  0  0
 17 49  1  0  0  0
 17 50  1  0  0  0
 18 19  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 21  1  0  0  0
 20 53  1  0  0  0
 20 54  1  0  0  0
 21 55  1  0  0  0
M  END

>  <Chemical Name>
19327-39-0

>  <PubChem CID>
5414

>  <Formula>
C16H34O5

>  <Molecular Weight>
306.443000

>  <IUPAC Name>
2-[2-[2-(2-octoxyethoxy)ethoxy]ethoxy]ethanol

>  <XlogP>
2.500

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CCCCCCCCOCCOCCOCCOCCO

>  <Isomeric SMILES>
CCCCCCCCOCCOCCOCCOCCO

>  <InChI Std. ID>
InChI=1S/C16H34O5/c1-2-3-4-5-6-7-9-18-11-13-20-15-16-21-14-12-19-10-8-17/h17H,2-16H2,1H3

>  <InChI Key>
FEOZZFHAVXYAMB-UHFFFAOYSA-N

