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2-methylbut-1-ene
2-methylbut-1-ene ID: AN-23702
CAS:563-46-2
Supplier:AN PharmaTech Co Ltd

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SMILES:C(C(=C)C)C	11240
FORMULA: C5H10
MASS: 70.1329
EXACT MASS: 70.0782503
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      H   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    1.7320     1.0000     2.0000     1.7320     0.0000 
   H   6    0.6201     1.5968     1.0813     2.1829     2.3452     0.0000 
   H   7    0.6200     1.0813     1.5968     1.4156     2.0296     0.7971 
   H   8    1.1766     1.5201     0.6200     2.5121     1.4956     1.5201 
   H   9    1.6200     2.2901     0.6200     3.2380     2.3716     1.6310 
   H  10    1.1767     2.1115     0.6200     2.9083     2.5558     0.8924 
   H  11    1.5200     1.1766     2.5121     0.6200     2.1114     1.8217 
   H  12    2.2900     1.6199     3.2380     0.6200     2.2900     2.6726 
   H  13    2.1114     1.1766     2.9083     0.6200     1.5200     2.6421 
   H  14    2.2900     1.4158     2.6200     1.8397     0.6200     2.9097 
   H  15    1.8397     1.4158     1.7732     2.2901     0.6201     2.3980 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    1.7880     0.0000 
   H   9    2.2128     0.8768     0.0000 
   H  10    1.6344     1.2399     0.8768     0.0000 
   H  11    1.0254     2.5278     3.1297     2.6458     0.0000 
   H  12    1.8777     3.1297     3.8389     3.4558     0.8768     0.0000 
   H  13    1.9300     2.6458     3.4558     3.2689     1.2399     0.8768 
   H  14    2.4960     2.1060     2.9788     3.1721     2.3470     2.2901 
   H  15    2.2861     1.1752     2.0000     2.3825     2.5889     2.8736 

              H  13      H  14      H  15
              ---------------------------------
   H  13    0.0000 
   H  14    1.4245     0.0000 
   H  15    2.1343     1.0739     0.0000 



ATOMIC CHARGES
   C   1   -0.0351035423
   C   2   -0.0799515492
   C   3   -0.0615856881
   C   4   -0.0440491805
   C   5   -0.0997189529
   H   6    0.0307153155
   H   7    0.0307153155
   H   8    0.0232777398
   H   9    0.0232777398
   H  10    0.0232777398
   H  11    0.0274273448
   H  12    0.0274273448
   H  13    0.0274273448
   H  14    0.0534315142
   H  15    0.0534315142


BOND ANGLES
   2    1    3   C2   C3   C3    120.001
   2    1    6   C2   C3   HC    160.003
   2    1    7   C2   C3   HC     80.006
   3    1    6   C3   C3   HC     79.996
   3    1    7   C3   C3   HC    159.993
   6    1    7   HC   C3   HC     79.997
   1    2    4   C3   C2   C3    119.999
   1    2    5   C3   C2   C2    120.001
   4    2    5   C3   C2   C2    120.001
   1    3    8   C3   C3   HC     89.996
   1    3    9   C3   C3   HC    179.974
   1    3   10   C3   C3   HC     90.004
   8    3    9   HC   C3   HC     90.000
   8    3   10   HC   C3   HC    179.974
   9    3   10   HC   C3   HC     90.000
   2    4   11   C2   C3   HC     89.999
   2    4   12   C2   C3   HC    179.974
   2    4   13   C2   C3   HC     90.001
  11    4   12   HC   C3   HC     90.000
  11    4   13   HC   C3   HC    179.974
  12    4   13   HC   C3   HC     90.000
   2    5   14   C2   C2   HC    120.002
   2    5   15   C2   C2   HC    119.997
  14    5   15   HC   C2   HC    120.001


TORSION ANGLES
   3    1    2    4    179.974
   3    1    2    5      0.026
   6    1    2    4      0.026
   6    1    2    5    179.974
   7    1    2    4      0.026
   7    1    2    5    179.974
   2    1    3    8      0.026
   2    1    3    9      0.026
   2    1    3   10    179.974
   6    1    3    8    179.974
   6    1    3    9    179.974
   6    1    3   10      0.026
   7    1    3    8    179.974
   7    1    3    9    179.974
   7    1    3   10      0.026
   1    2    4   11      0.026
   1    2    4   12      0.026
   1    2    4   13    179.974
   5    2    4   11    179.974
   5    2    4   12    179.974
   5    2    4   13      0.026
   1    2    5   14    179.974
   1    2    5   15      0.026
   4    2    5   14      0.026
   4    2    5   15    179.974