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2-Ethoxypropene
2-Ethoxypropene ID: API-42827
CAS:926-66-9
Supplier:APIchem

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SMILES:O(CC)C(=C)C	ChemMol.com
FORMULA: C5H10O
MASS: 86.1323
EXACT MASS: 86.0731649
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.0001     0.0000 
   C   3    1.7321     1.0000     0.0000 
   C   4    1.0000     1.7321     2.6458     0.0000 
   C   5    1.7320     2.6458     3.4641     1.0000     0.0000 
   C   6    1.7320     2.0000     3.0000     1.0000     1.7320     0.0000 
   H   7    1.0812     0.6199     1.5967     1.4156     2.4060     1.4333 
   H   8    1.5968     0.6199     1.0812     2.1829     3.1512     2.1944 
   H   9    2.1115     1.1766     0.6200     2.9083     3.8121     3.0634 
   H  10    2.2901     1.6199     0.6200     3.2380     4.0130     3.6200 
   H  11    1.5201     1.1766     0.6200     2.5121     3.1995     3.0634 
   H  12    1.5200     2.5121     3.1995     1.1766     0.6200     2.1114 
   H  13    2.2900     3.2380     4.0130     1.6199     0.6200     2.2900 
   H  14    2.1114     2.9083     3.8121     1.1766     0.6200     1.5200 
   H  15    2.2900     2.6200     3.6200     1.4158     1.8397     0.6200 
   H  16    1.8397     1.7732     2.7430     1.4158     2.2901     0.6201 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.7970     0.0000 
   H   9    1.6343     0.8924     0.0000 
   H  10    2.2127     1.6309     0.8768     0.0000 
   H  11    1.7879     1.5200     1.2399     0.8768     0.0000 
   H  12    2.4199     3.0828     3.6267     3.6980     2.8441     0.0000 
   H  13    3.0231     3.7599     4.3934     4.5379     3.6980     0.8768 
   H  14    2.5475     3.3355     4.0841     4.3934     3.6267     1.2399 
   H  15    2.0485     2.7952     3.6727     4.2400     3.6727     2.3470 
   H  16    1.1541     1.7992     2.6913     3.3532     2.9282     2.5889 

              H  13      H  14      H  15      H  16
              --------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    2.2901     1.4245     0.0000 
   H  16    2.8736     2.1343     1.0739     0.0000 



ATOMIC CHARGES
   O   1   -0.4973479142
   C   2    0.0862723552
   C   3   -0.0307001537
   C   4    0.0875703020
   C   5   -0.0075286211
   C   6   -0.0612773511
   H   7    0.0693349279
   H   8    0.0693349279
   H   9    0.0262255932
   H  10    0.0262255932
   H  11    0.0262255932
   H  12    0.0307298780
   H  13    0.0307298780
   H  14    0.0307298780
   H  15    0.0567375567
   H  16    0.0567375567


BOND ANGLES
   2    1    4   C3   O2   C2    120.001
   1    2    3   O2   C3   C3    120.001
   1    2    7   O2   C3   HC     79.997
   1    2    8   O2   C3   HC    159.999
   3    2    7   C3   C3   HC    160.002
   3    2    8   C3   C3   HC     80.000
   7    2    8   HC   C3   HC     80.002
   2    3    9   C3   C3   HC     90.001
   2    3   10   C3   C3   HC    179.974
   2    3   11   C3   C3   HC     89.999
   9    3   10   HC   C3   HC     90.000
   9    3   11   HC   C3   HC    179.974
  10    3   11   HC   C3   HC     90.000
   1    4    5   O2   C2   C3    119.999
   1    4    6   O2   C2   C2    120.001
   5    4    6   C3   C2   C2    120.001
   4    5   12   C2   C3   HC     89.999
   4    5   13   C2   C3   HC    179.974
   4    5   14   C2   C3   HC     90.001
  12    5   13   HC   C3   HC     90.000
  12    5   14   HC   C3   HC    179.974
  13    5   14   HC   C3   HC     90.000
   4    6   15   C2   C2   HC    120.002
   4    6   16   C2   C2   HC    119.997
  15    6   16   HC   C2   HC    120.001


TORSION ANGLES
   4    1    2    3    179.974
   4    1    2    7      0.026
   4    1    2    8      0.026
   2    1    4    5    179.974
   2    1    4    6      0.026
   1    2    3    9    179.974
   1    2    3   10      0.026
   1    2    3   11      0.026
   7    2    3    9      0.026
   7    2    3   10    179.974
   7    2    3   11    179.974
   8    2    3    9      0.026
   8    2    3   10    179.974
   8    2    3   11    179.974
   1    4    5   12      0.026
   1    4    5   13      0.026
   1    4    5   14    179.974
   6    4    5   12    179.974
   6    4    5   13    179.974
   6    4    5   14      0.026
   1    4    6   15    179.974
   1    4    6   16      0.026
   5    4    6   15      0.026
   5    4    6   16    179.974