Sign In Join Free

Products Information

6-Propylpiperonyl butyl diethylene glycol ether
6-Propylpiperonyl butyl diethylene glycol ether ID: AC-11663
CAS:51-03-6
Supplier:Hangzhou APIChem Technology Co., Limited

Get a quote


SMILES:c12c(cc(c(c1)CCC)COCCOCCOCCCC)OCO2	
FORMULA: C19H30O5
MASS: 338.4385
EXACT MASS: 338.2093241
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.7833     0.0000 
   C   3    0.7604     1.3412     0.0000 
   C   4    1.3412     0.7604     1.5583     0.0000 
   C   5    1.5536     1.3417     1.3577     0.7892     0.0000 
   C   6    1.3417     1.5536     0.7892     1.3577     0.7833     0.0000 
   O   7    1.2676     0.7840     1.9888     1.4076     2.1014     2.3256 
   O   8    0.7827     1.2642     1.4080     1.9858     2.3237     2.1010 
   C   9    1.2715     1.2689     2.0205     2.0173     2.5793     2.5805 
   C  10    2.3283     2.0495     2.0672     1.3583     0.7747     1.3493 
   O  11    2.7914     2.6792     2.3391     2.0617     1.3375     1.5500 
   C  12    2.0413     2.3211     1.3500     2.0617     1.3452     0.7675 
   O  13    4.8356     4.7077     4.3278     4.0375     3.3723     3.5487 
   O  14    6.7498     6.7042     6.1622     6.0624     5.3625     5.4194 
   C  15    3.5527     3.3765     3.1174     2.7000     2.0495     2.3283 
   C  16    5.4236     5.3667     4.8558     4.7284     4.0250     4.1005 
   C  17    6.1500     6.0499     5.6043     5.3833     4.7118     4.8396 
   C  18    4.1005     4.0250     3.5683     3.3930     2.6833     2.7953 
   C  19    7.4715     7.3894     6.9032     6.7250     6.0499     6.1500 
   C  20    2.3128     2.7876     1.5525     2.6885     2.0476     1.3308 
   C  21    8.0880     8.0500     7.4879     7.4059     6.7083     6.7539 
   C  22    8.7950     8.7253     8.2117     8.0625     7.3852     7.4674 
   C  23    3.0803     3.5379     2.3200     3.3775     2.6761     2.0328 
   C  24    9.4243     9.3917     8.8156     8.7461     8.0500     8.0880 

              O   7      O   8      C   9      C  10      O  11      C  12
              ------------------------------------------------------------------
   O   7    0.0000 
   O   8    1.2625     0.0000 
   C   9    0.7809     0.7842     0.0000 
   C  10    2.7622     3.0970     3.3127     0.0000 
   O  11    3.4335     3.5739     3.9068     0.7711     0.0000 
   C  12    3.0915     2.7541     3.3066     1.5583     1.3514     0.0000 
   O  13    5.4395     5.6169     5.9507     2.6792     2.0495     3.1066 
   O  14    7.4539     7.5196     7.9220     4.7077     4.0250     4.8436 
   C  15    4.1026     4.3351     4.6279     1.3417     0.7783     2.0617 
   C  16    6.1173     6.1972     6.5864     3.3765     2.6875     3.5605 
   C  17    6.7849     6.9279     7.2871     4.0250     3.3806     4.3239 
   C  18    4.7769     4.8788     5.2476     2.0495     1.3458     2.3355 
   C  19    8.1263     8.2461     8.6224     5.3667     4.7159     5.5963 
   C  20    3.5088     2.8988     3.5669     2.3250     2.0517     0.7667 
   C  21    8.7991     8.8548     9.2664     6.0499     5.3708     6.1581 
   C  22    9.4636     9.5667     9.9552     6.7042     6.0499     6.8910 
   C  23    4.2700     3.6532     4.3324     2.7903     2.3250     1.3308 
   C  24   10.1404    10.1888    10.6071     7.3894     6.7125     7.4797 

              O  13      O  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   O  13    0.0000 
   O  14    2.0495     0.0000 
   C  15    1.3375     3.3723     0.0000 
   C  16    0.7783     1.3375     2.0495     0.0000 
   C  17    1.3458     0.7711     2.6833     0.7747     0.0000 
   C  18    0.7711     2.6792     0.7747     1.3417     2.0495     0.0000 
   C  19    2.6875     0.7783     4.0250     2.0495     1.3417     3.3765 
   C  20    3.5536     5.0837     2.6885     3.8808     4.6554     2.7996 
   C  21    3.3806     1.3458     4.7118     2.6833     2.0495     4.0250 
   C  22    4.0250     2.0495     5.3625     3.3723     2.6792     4.7077 
   C  23    3.3850     4.6591     2.7983     3.5631     4.3267     2.6927 
   C  24    4.7159     2.6875     6.0499     4.0250     3.3765     5.3667 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    5.8563     0.0000 
   C  21    0.7747     6.3487     0.0000 
   C  22    1.3375     7.1038     0.7711     0.0000 
   C  23    5.4374     0.7675     5.8639     6.6302     0.0000 
   C  24    2.0495     7.6373     1.3417     0.7783     7.1156     0.0000 




ATOMIC CHARGES
   C   1    0.1760901038
   C   2    0.1761652928
   C   3    0.0356891049
   C   4    0.0380241480
   C   5    0.0065288458
   C   6   -0.0205867614
   O   7   -0.4346402180
   O   8   -0.4346412423
   C   9    0.4294030459
   C  10    0.1684857793
   O  11   -0.3463427909
   C  12    0.0262164785
   O  13   -0.3484290926
   O  14   -0.3511031129
   C  15    0.1745693538
   C  16    0.1742131074
   C  17    0.1741017898
   C  18    0.1742288236
   C  19    0.1422697068
   C  20    0.0046692152
   C  21    0.0320731506
   C  22    0.0025763957
   C  23    0.0003552608
   C  24    0.0000836155


BOND ANGLES
   2    1    3  Car  Car  Car    120.639
   2    1    8  Car  Car   O3    107.664
   3    1    8  Car  Car   O3    131.697
   1    2    4  Car  Car  Car    120.639
   1    2    7  Car  Car   O3    107.957
   4    2    7  Car  Car   O3    131.404
   1    3    6  Car  Car  Car    119.953
   2    4    5  Car  Car  Car    119.953
   6    5   10  Car  Car   C3    120.014
   4    5    6  Car  Car  Car    119.407
   4    5   10  Car  Car   C3    120.579
   3    6    5  Car  Car  Car    119.407
   5    6   12  Car  Car   C3    120.324
   3    6   12  Car  Car   C3    120.269
   2    7    9  Car   O3   C3    108.362
   1    8    9  Car   O3   C3    108.477
   7    9    8   O3   C3   O3    107.541
   5   10   11  Car   C3   O3    119.820
  10   11   15   C3   O3   C3    119.975
   6   12   20  Car   C3   C3    120.324
  16   13   18   C3   O3   C3    119.975
  17   14   19   C3   O3   C3    119.975
  11   15   18   O3   C3   C3    120.127
  13   16   17   O3   C3   C3    120.127
  14   17   16   O3   C3   C3    119.820
  13   18   15   O3   C3   C3    119.820
  14   19   21   O3   C3   C3    120.127
  12   20   23   C3   C3   C3    120.324
  19   21   22   C3   C3   C3    119.820
  21   22   24   C3   C3   C3    119.975


TORSION ANGLES
   4    2    1    3      0.026
   4    2    1    8    179.974
   7    2    1    3    179.974
   7    2    1    8      0.026
   6    3    1    2      0.026
   6    3    1    8    179.974
   5    4    2    1      0.026
   5    4    2    7    179.974
  10    5    6    3    179.974
  10    5    6   12      0.026
   4    5    6    3      0.026
   4    5    6   12    179.974
   5    6    3    1      0.026
  12    6    3    1    179.974
   9    7    2    1      0.026
   9    7    2    4    179.974
   9    8    1    2      0.026
   9    8    1    3    179.974
   7    9    8    1      0.026
  11   10    5    6      0.026
  11   10    5    4    179.974
  15   11   10    5    179.974
  20   12    6    5    179.974
  20   12    6    3      0.026
  16   13   18   15    179.974
  19   14   17   16    179.974
  18   15   11   10    179.974
  17   16   13   18    179.974
  14   17   16   13    179.974
  13   18   15   11    179.974
  21   19   14   17    179.974
  23   20   12    6    179.974
  22   21   19   14    179.974
  24   22   21   19    179.974
   8    9    7    2      0.026
   2    4    5    6      0.026
   2    4    5   10    179.974