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1,4-Decadiyne
1,4-Decadiyne ID: API-42855
CAS:929-53-3
Supplier:APIchem

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SMILES:C(CC)CC#CCCC#C	ChemMol.com
FORMULA: C10H14
MASS: 134.2182
EXACT MASS: 134.1095504
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    1.0001     1.7321     0.0000 
   C   4    1.7320     1.0000     2.6458     0.0000 
   C   5    1.7321     2.6458     1.0000     3.4641     0.0000 
   C   6    3.6056     4.5826     3.0000     5.2915     2.0000     0.0000 
   C   7    4.3590     5.2915     3.6055     6.0828     2.6458     1.0000 
   C   8    2.6458     3.6055     2.0000     4.3589     1.0000     1.0001 
   C   9    5.2915     6.2450     4.5826     7.0000     3.6055     1.7320 
   C  10    6.2450     7.2111     5.5677     7.9372     4.5826     2.6457 
   H  11    0.6200     1.5968     1.0812     2.1829     1.4155     3.1102 
   H  12    0.6199     1.0812     1.5968     1.4155     2.1829     3.8982 
   H  13    1.5967     0.6200     2.1829     1.0813     3.1512     5.1246 
   H  14    1.0812     0.6201     1.4156     1.5968     2.4059     4.3998 
   H  15    1.0813     1.4157     0.6200     2.4060     1.5967     3.5889 
   H  16    1.5968     2.1829     0.6200     3.1512     1.0813     2.9562 
   H  17    1.5200     1.1766     2.5121     0.6200     3.1995     4.9081 
   H  18    2.2900     1.6199     3.2380     0.6200     4.0130     5.7745 
   H  19    2.1114     1.1766     2.9083     0.6200     3.8121     5.7167 
   H  20    4.1347     5.1245     3.5888     5.7858     2.5913     0.6199 
   H  21    3.4019     4.3997     2.9560     5.0192     1.9884     0.6200 
   H  22    3.9317     4.8263     3.1101     5.6637     2.1996     1.0812 
   H  23    4.7288     5.6193     3.8981     6.4607     2.9967     1.5967 
   H  24    6.8429     7.8144     6.1810     8.5255     5.1928     3.2380 

              C   7      C   8      C   9      C  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.7321     0.0000 
   C   9    1.0000     2.6458     0.0000 
   C  10    2.0000     3.6055     1.0000     0.0000 
   H  11    3.9317     2.1996     4.8263     5.7556     0.0000 
   H  12    4.7288     2.9967     5.6193     6.5415     0.7971     0.0000 
   H  13    5.7859     4.1346     6.7558     7.7334     2.2064     1.6888 
   H  14    5.0192     3.4019     5.9981     6.9829     1.6888     1.4515 
   H  15    4.1346     2.5913     5.1245     6.1176     1.4515     1.6889 
   H  16    3.4020     1.9884     4.3998     5.3984     1.6888     2.2064 
   H  17    5.7523     4.0203     6.6344     7.5459     1.8217     1.0254 
   H  18    6.6018     4.8707     7.4969     8.4157     2.6726     1.8777 
   H  19    6.4560     4.7545     7.3996     8.3563     2.6420     1.9300 
   H  20    1.0812     1.5968     1.4155     2.1996     3.6055     4.3770 
   H  21    1.5968     1.0812     2.1829     2.9967     2.8483     3.6055 
   H  22    0.6200     1.4155     1.5968     2.5913     3.5615     4.3534 
   H  23    0.6199     2.1829     1.0812     1.9884     4.3534     5.1469 
   H  24    2.6200     4.2101     1.6200     0.6201     6.3427     7.1239 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.7971     0.0000 
   H  15    1.7321     0.9350     0.0000 
   H  16    2.5291     1.7320     0.7970     0.0000 
   H  17    1.5201     1.7880     2.4200     3.0828     0.0000 
   H  18    1.6310     2.2128     3.0232     3.7599     0.8768     0.0000 
   H  19    0.8924     1.6344     2.5476     3.3355     1.2399     0.8768 
   H  20    5.6824     4.9751     4.1867     3.5710     5.3673     6.2413 
   H  21    4.9751     4.2993     3.5709     3.0407     4.5846     5.4602 
   H  22    5.2915     4.5113     3.6055     2.8483     5.3780     6.2070 
   H  23    6.0761     5.2915     4.3769     3.6056     6.1720     7.0034 
   H  24    8.3423     7.5956     6.7344     6.0178     8.1216     8.9941 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    6.2380     0.0000 
   H  21    5.4895     0.7971     0.0000 
   H  22    6.0000     1.4514     1.6887     0.0000 
   H  23    6.7940     1.6887     2.2063     0.7971     0.0000 
   H  24    8.9542     2.7569     3.5495     3.2097     2.5855     0.0000 




ATOMIC CHARGES
   C   1   -0.0424205175
   C   2   -0.0550588872
   C   3    0.0091217433
   C   4   -0.0652485200
   C   5   -0.1021916259
   C   6    0.0199444713
   C   7    0.0197075504
   C   8   -0.1012931403
   C   9   -0.1046462092
   C  10   -0.1191439366
   H  11    0.0274188045
   H  12    0.0274188045
   H  13    0.0262921280
   H  14    0.0262921280
   H  15    0.0397356960
   H  16    0.0397356960
   H  17    0.0229778533
   H  18    0.0229778533
   H  19    0.0229778533
   H  20    0.0406557702
   H  21    0.0406557702
   H  22    0.0406481114
   H  23    0.0406481114
   H  24    0.1227944918


BOND ANGLES
   2    1    3   C3   C3   C3    120.001
   2    1   11   C3   C3   HC    160.009
   2    1   12   C3   C3   HC     80.000
   3    1   11   C3   C3   HC     79.990
   3    1   12   C3   C3   HC    159.999
  11    1   12   HC   C3   HC     80.009
   1    2    4   C3   C3   C3    119.999
   1    2   13   C3   C3   HC    159.996
   1    2   14   C3   C3   HC     79.999
   4    2   13   C3   C3   HC     80.006
   4    2   14   C3   C3   HC    160.003
  13    2   14   HC   C3   HC     79.997
   1    3    5   C3   C3   C1    120.001
   1    3   15   C3   C3   HC     80.003
   1    3   16   C3   C3   HC    159.993
   5    3   15   C1   C3   HC    159.996
   5    3   16   C1   C3   HC     80.006
  15    3   16   HC   C3   HC     79.990
   2    4   17   C3   C3   HC     89.999
   2    4   18   C3   C3   HC    179.974
   2    4   19   C3   C3   HC     90.001
  17    4   18   HC   C3   HC     90.000
  17    4   19   HC   C3   HC    179.974
  18    4   19   HC   C3   HC     90.000
   3    5    8   C3   C1   C1    179.974
   7    6    8   C3   C3   C1    120.001
   7    6   20   C3   C3   HC     80.000
   7    6   21   C3   C3   HC    160.009
   8    6   20   C1   C3   HC    159.999
   8    6   21   C1   C3   HC     79.990
  20    6   21   HC   C3   HC     80.009
   6    7    9   C3   C3   C1    119.999
   6    7   22   C3   C3   HC     79.993
   6    7   23   C3   C3   HC    160.002
   9    7   22   C1   C3   HC    160.009
   9    7   23   C1   C3   HC     80.000
  22    7   23   HC   C3   HC     80.009
   5    8    6   C1   C1   C3    179.974
   7    9   10   C3   C1   C1    179.974
   9   10   24   C1   C1   HC    179.974


TORSION ANGLES
   3    1    2    4    179.974
   3    1    2   13      0.026
   3    1    2   14      0.026
  11    1    2    4      0.026
  11    1    2   13    179.974
  11    1    2   14    179.974
  12    1    2    4      0.026
  12    1    2   13    179.974
  12    1    2   14    179.974
   2    1    3    5    179.974
   2    1    3   15      0.026
   2    1    3   16      0.026
  11    1    3    5      0.026
  11    1    3   15    179.974
  11    1    3   16    179.974
  12    1    3    5      0.026
  12    1    3   15    179.974
  12    1    3   16    179.974
   1    2    4   17      0.026
   1    2    4   18      0.026
   1    2    4   19    179.974
  13    2    4   17    179.974
  13    2    4   18    179.974
  13    2    4   19      0.026
  14    2    4   17    179.974
  14    2    4   18    179.974
  14    2    4   19      0.026
   1    3    5    8      0.026
  15    3    5    8    179.974
  16    3    5    8    179.974
   3    5    8    6    179.974
   8    6    7    9    179.974
   8    6    7   22      0.026
   8    6    7   23      0.026
  20    6    7    9      0.026
  20    6    7   22    179.974
  20    6    7   23    179.974
  21    6    7    9      0.026
  21    6    7   22    179.974
  21    6    7   23    179.974
   7    6    8    5      0.026
  20    6    8    5    179.974
  21    6    8    5    179.974
   6    7    9   10    180.000
  22    7    9   10    180.000
  23    7    9   10    180.000
   7    9   10   24    180.000