Sign In Join Free

Products Information

2-methoxy-2-methyl-propane
2-methoxy-2-methyl-propane ID: AN-20659
CAS:1634-04-4
Supplier:AN PharmaTech Co Ltd

Get a quote


SMILES:O(C(C)(C)C)C	15413
FORMULA: C5H12O
MASS: 88.1482
EXACT MASS: 88.0888150
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.0000     0.0000 
   C   3    2.0000     1.0000     0.0000 
   C   4    1.4142     1.0000     1.4142     0.0000 
   C   5    1.4142     1.0000     1.4142     2.0000     0.0000 
   C   6    1.0001     1.7321     2.6458     2.3942     1.5060     0.0000 
   H   7    1.0697     1.1766     1.9038     0.6201     2.0938     2.0631 
   H   8    1.9038     1.6200     1.9038     0.6201     2.6200     2.9036 
   H   9    1.9037     1.1766     1.0697     0.6200     2.0938     2.8243 
   H  10    1.9037     1.1766     1.0698     2.0939     0.6200     2.1242 
   H  11    1.9038     1.6200     1.9038     2.6200     0.6201     1.6789 
   H  12    1.0698     1.1766     1.9038     2.0939     0.6201     0.8901 
   H  13    2.0939     1.1766     0.6200     1.0698     1.9037     2.9083 
   H  14    2.6199     1.6199     0.6200     1.9037     1.9037     3.2380 
   H  15    2.0938     1.1766     0.6200     1.9037     1.0697     2.5121 
   H  16    1.1766     1.5201     2.2884     2.3796     0.9791     0.6200 
   H  17    1.6200     2.2901     3.1408     3.0084     1.8543     0.6200 
   H  18    1.1767     2.1115     3.0874     2.5633     2.0848     0.6200 

              H   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   H   7    0.0000 
   H   8    0.8769     0.0000 
   H   9    1.2400     0.8769     0.0000 
   H  10    2.3532     2.6924     2.0000     0.0000 
   H  11    2.6924     3.2401     2.6923     0.8768     0.0000 
   H  12    2.0000     2.6924     2.3532     1.2400     0.8769     0.0000 
   H  13    1.6640     1.4143     0.5374     1.6639     2.4531     2.2910 
   H  14    2.4531     2.2910     1.4142     1.4142     2.2910     2.4531 
   H  15    2.2910     2.4531     1.6639     0.5374     1.4142     1.6640 
   H  16    2.2028     2.9573     2.6909     1.5928     1.0606     0.3856 
   H  17    2.6814     3.5234     3.4174     2.4632     1.8230     1.2563 
   H  18    2.1045     2.9807     3.0791     2.6937     2.2981     1.4848 

              H  13      H  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   H  13    0.0000 
   H  14    0.8768     0.0000 
   H  15    1.2399     0.8768     0.0000 
   H  16    2.6607     2.8382     2.0403     0.0000 
   H  17    3.4624     3.7058     2.9170     0.8768     0.0000 
   H  18    3.2567     3.6989     3.0376     1.2399     0.8768     0.0000 




ATOMIC CHARGES
   O   1   -0.3773833339
   C   2    0.0608164482
   C   3   -0.0363570898
   C   4   -0.0363570898
   C   5   -0.0363570898
   C   6    0.0371225209
   H   7    0.0257106028
   H   8    0.0257106028
   H   9    0.0257106028
   H  10    0.0257106028
   H  11    0.0257106028
   H  12    0.0257106028
   H  13    0.0257106028
   H  14    0.0257106028
   H  15    0.0257106028
   H  16    0.0523734032
   H  17    0.0523734032
   H  18    0.0523734032


BOND ANGLES
   2    1    6   C3   O3   C3    120.001
   1    2    3   O3   C3   C3    179.974
   1    2    4   O3   C3   C3     90.000
   1    2    5   O3   C3   C3     90.000
   3    2    4   C3   C3   C3     90.000
   3    2    5   C3   C3   C3     90.000
   4    2    5   C3   C3   C3    179.974
   2    3   13   C3   C3   HC     90.001
   2    3   14   C3   C3   HC    179.974
   2    3   15   C3   C3   HC     89.999
  13    3   14   HC   C3   HC     90.000
  13    3   15   HC   C3   HC    179.974
  14    3   15   HC   C3   HC     90.000
   2    4    7   C3   C3   HC     89.996
   2    4    8   C3   C3   HC    179.974
   2    4    9   C3   C3   HC     89.999
   7    4    8   HC   C3   HC     90.000
   7    4    9   HC   C3   HC    179.974
   8    4    9   HC   C3   HC     90.005
   2    5   10   C3   C3   HC     90.001
   2    5   11   C3   C3   HC    179.974
   2    5   12   C3   C3   HC     90.004
  10    5   11   HC   C3   HC     89.995
  10    5   12   HC   C3   HC    179.974
  11    5   12   HC   C3   HC     90.000
   1    6   16   O3   C3   HC     89.996
   1    6   17   O3   C3   HC    179.974
   1    6   18   O3   C3   HC     90.004
  16    6   17   HC   C3   HC     90.000
  16    6   18   HC   C3   HC    179.974
  17    6   18   HC   C3   HC     90.000


TORSION ANGLES
   6    1    2    3    180.000
   6    1    2    4    179.974
   6    1    2    5      0.026
   2    1    6   16      0.026
   2    1    6   17      0.026
   2    1    6   18    179.974
   1    2    3   13    180.000
   1    2    3   14    180.000
   1    2    3   15    180.000
   4    2    3   13      0.026
   4    2    3   14    179.974
   4    2    3   15    179.974
   5    2    3   13    179.974
   5    2    3   14      0.026
   5    2    3   15      0.026
   1    2    4    7      0.026
   1    2    4    8      0.026
   1    2    4    9    179.974
   3    2    4    7    179.974
   3    2    4    8    179.974
   3    2    4    9      0.026
   5    2    4    7    180.000
   5    2    4    8    180.000
   5    2    4    9    180.000
   1    2    5   10    179.974
   1    2    5   11    179.974
   1    2    5   12      0.026
   3    2    5   10      0.026
   3    2    5   11      0.026
   3    2    5   12    179.974
   4    2    5   10    180.000
   4    2    5   11    180.000
   4    2    5   12    180.000