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3,9-divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane
3,9-divinyl-2,4,8,10-tetraoxaspiro[5.5]undecane ID: AN-42093
CAS:78-19-3
Supplier:AN PharmaTech Co Ltd

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SMILES:O1CC2(COC1C=C)COC(OC2)C=C	66218
FORMULA: C11H16O4
MASS: 212.2423
EXACT MASS: 212.1048590
INTERATOMIC DISTANCES

              O   1      O   2      O   3      O   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   O   2    1.7320     0.0000 
   O   3    3.4641     3.0000     0.0000 
   O   4    3.0000     3.4641     1.7320     0.0000 
   C   5    1.7320     1.7320     1.7320     1.7320     0.0000 
   C   6    2.0000     1.0000     2.0000     2.6457     1.0000     0.0000 
   C   7    1.0000     2.0000     2.6457     2.0000     1.0000     1.7320 
   C   8    2.0000     2.6457     2.0000     1.0000     1.0000     2.0000 
   C   9    2.6457     2.0000     1.0000     2.0000     1.0000     1.0000 
   C  10    1.0000     1.0000     3.6055     3.6055     2.0000     1.7320 
   C  11    3.6055     3.6055     1.0000     1.0000     2.0000     2.6457 
   C  12    1.4142     1.9318     4.5747     4.3813     2.9093     2.7320 
   C  13    4.5747     4.3813     1.4142     1.9318     2.9093     3.3858 
   C  14    2.3941     2.3941     5.3032     5.3032     3.7320     3.3460 
   C  15    5.3032     5.3032     2.3941     2.3941     3.7320     4.3197 
   H  16    1.5967     2.5068     2.4059     1.4332     1.0813     2.0295 
   H  17    1.0812     2.5068     3.1512     2.1944     1.5968     2.3451 
   H  18    2.5068     1.0812     2.1944     3.1512     1.5968     0.6200 
   H  19    2.5067     1.5967     1.4332     2.4059     1.0812     0.6200 
   H  20    2.1944     3.1512     2.5068     1.0812     1.5968     2.5913 
   H  21    1.4332     2.4059     2.5068     1.5967     1.0813     1.9884 
   H  22    2.4059     1.4332     1.5967     2.5067     1.0812     0.4682 
   H  23    3.1512     2.1944     1.0812     2.5068     1.5968     1.2648 
   H  24    1.5678     1.1766     4.0750     4.2047     2.5558     2.1114 
   H  25    4.0750     4.2047     1.5678     1.1766     2.5558     3.2566 
   H  26    1.3894     2.4104     4.7965     4.3734     3.0771     3.0890 
   H  27    4.7965     4.3734     1.3894     2.4104     3.0771     3.3756 
   H  28    2.8243     3.0084     5.8876     5.7957     4.2802     3.9482 
   H  29    2.6814     2.2455     5.2378     5.4389     3.7832     3.2413 
   H  30    5.8876     5.7957     2.8243     3.0084     4.2802     4.8013 
   H  31    5.2378     5.4389     2.6814     2.2455     3.7832     4.4853 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    2.0000     1.7320     0.0000 
   C  10    1.7320     2.6457     2.6457     0.0000 
   C  11    2.6457     1.7320     1.7320     4.0000     0.0000 
   C  12    2.3941     3.3858     3.6326     1.0000     4.8916     0.0000 
   C  13    3.6326     2.7320     2.3941     4.8916     1.0000     5.8186 
   C  14    3.3460     4.3197     4.3197     1.7320     5.7320     1.0000 
   C  15    4.3197     3.3460     3.3460     5.7320     1.7320     6.6169 
   H  16    0.6200     0.4682     1.9884     2.3451     2.1997     3.0047 
   H  17    0.6200     1.2648     2.5913     2.0295     2.9967     2.4604 
   H  18    2.3451     2.5913     1.2648     2.0295     2.9967     3.0011 
   H  19    2.0294     1.9883     0.4682     2.3451     2.1997     3.3443 
   H  20    1.2648     0.6200     2.3451     2.9967     2.0295     3.6084 
   H  21    0.4682     0.6200     2.0295     2.1997     2.3451     2.8428 
   H  22    1.9883     2.0294     0.6200     2.1997     2.3451     3.1996 
   H  23    2.5913     2.3451     0.6200     2.9967     2.0295     3.9967 
   H  24    2.3520     3.2566     3.0874     0.6200     4.5475     0.8743 
   H  25    3.0874     2.1114     2.3520     4.5475     0.6200     5.4062 
   H  26    2.3796     3.3756     3.9082     1.4158     4.9932     0.6200 
   H  27    3.9082     3.0890     2.3796     4.9932     1.4158     5.9565 
   H  28    3.8098     4.8013     4.9119     2.2901     6.2767     1.4158 
   H  29    3.5572     4.4853     4.2391     1.8396     5.7654     1.4158 
   H  30    4.9119     3.9482     3.8098     6.2767     2.2901     7.1808 
   H  31    4.2391     3.2413     3.5572     5.7654     1.8396     6.5991 

              C  13      C  14      C  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    6.6169     0.0000 
   C  15    1.0000     7.4640     0.0000 
   H  16    3.1996     3.9640     3.8053     0.0000 
   H  17    3.9967     3.4557     4.5840     0.7971     0.0000 
   H  18    3.6084     3.4557     4.5840     2.6463     2.9532     0.0000 
   H  19    2.8428     3.9640     3.8053     2.1561     2.6462     0.7971 
   H  20    3.0011     4.5840     3.4557     0.6592     1.2154     3.1935 
   H  21    3.3443     3.8053     3.9640     0.1652     0.6592     2.6081 
   H  22    3.0047     3.8053     3.9640     2.1624     2.6080     0.6593 
   H  23    2.4604     4.5840     3.4557     2.6081     3.1935     1.2154 
   H  24    5.4062     1.2347     6.2766     2.9646     2.6294     2.2545 
   H  25    0.8743     6.2766     1.2347     2.5717     3.3540     3.6167 
   H  26    5.9565     1.4158     6.6924     2.9489     2.2863     3.4413 
   H  27    0.6200     6.6924     1.4158     3.5467     4.3369     3.4920 
   H  28    7.1808     0.6201     8.0070     4.4189     3.8427     4.0739 
   H  29    6.5991     0.6200     7.4897     4.1755     3.7626     3.2396 
   H  30    1.4158     8.0070     0.6201     4.4105     5.1937     5.0143 
   H  31    1.4158     7.4897     0.6200     3.6780     4.4234     4.8196 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    2.6080     0.0000 
   H  21    2.1624     0.7971     0.0000 
   H  22    0.1652     2.6462     2.1561     0.0000 
   H  23    0.6593     2.9532     2.6463     0.7971     0.0000 
   H  24    2.7298     3.6167     2.8196     2.5717     3.3540     0.0000 
   H  25    2.8196     2.2545     2.7298     2.9645     2.6294     5.1115 
   H  26    3.6777     3.4920     2.7837     3.5466     4.3369     1.4674 
   H  27    2.7837     3.4413     3.6778     2.9489     2.2863     5.4633 
   H  28    4.5676     5.0143     4.2563     4.4105     5.1937     1.8397 
   H  29    3.8420     4.8196     4.0251     3.6780     4.4234     1.2347 
   H  30    4.2563     4.0739     4.5676     4.4189     3.8427     6.8059 
   H  31    4.0251     3.2396     3.8420     4.1754     3.7626     6.3375 

              H  25      H  26      H  27      H  28      H  29      H  30
              ------------------------------------------------------------------
   H  25    0.0000 
   H  26    5.4633     0.0000 
   H  27    1.4674     6.1541     0.0000 
   H  28    6.8059     1.6200     7.2769     0.0000 
   H  29    6.3375     1.9436     6.6169     1.0739     0.0000 
   H  30    1.8397     7.2769     1.6200     8.5605     8.0070     0.0000 
   H  31    1.2347     6.6169     1.9436     8.0070     7.5663     1.0739 

              H  31
              -----------
   H  31    0.0000 



ATOMIC CHARGES
   O   1   -0.3469249049
   O   2   -0.3469249049
   O   3   -0.3469249049
   O   4   -0.3469249049
   C   5    0.0643315037
   C   6    0.0629329975
   C   7    0.0629329975
   C   8    0.0629329975
   C   9    0.0629329975
   C  10    0.1782006493
   C  11    0.1782006493
   C  12   -0.0359284699
   C  13   -0.0359284699
   C  14   -0.0979202535
   C  15   -0.0979202535
   H  16    0.0568562168
   H  17    0.0568562168
   H  18    0.0568562168
   H  19    0.0568562168
   H  20    0.0568562168
   H  21    0.0568562168
   H  22    0.0568562168
   H  23    0.0568562168
   H  24    0.0957890314
   H  25    0.0957890314
   H  26    0.0615956633
   H  27    0.0615956633
   H  28    0.0533282875
   H  29    0.0533282875
   H  30    0.0533282875
   H  31    0.0533282875


BOND ANGLES
   7    1   10   C3   O3   C3    120.001
   6    2   10   C3   O3   C3    120.001
   9    3   11   C3   O3   C3    120.001
   8    4   11   C3   O3   C3    120.001
   6    5    7   C3   C3   C3    119.999
   6    5    8   C3   C3   C3    179.974
   6    5    9   C3   C3   C3     60.001
   7    5    8   C3   C3   C3     60.001
   7    5    9   C3   C3   C3    179.974
   8    5    9   C3   C3   C3    119.999
   2    6    5   O3   C3   C3    120.001
   2    6   18   O3   C3   HC     79.997
   2    6   19   O3   C3   HC    160.004
   5    6   18   C3   C3   HC    160.002
   5    6   19   C3   C3   HC     79.995
  18    6   19   HC   C3   HC     80.007
   1    7    5   O3   C3   C3    120.001
   1    7   16   O3   C3   HC    159.996
   1    7   17   O3   C3   HC     79.997
   5    7   16   C3   C3   HC     80.004
   5    7   17   C3   C3   HC    160.002
  16    7   17   HC   C3   HC     79.999
   4    8    5   O3   C3   C3    120.001
   4    8   20   O3   C3   HC     79.997
   4    8   21   O3   C3   HC    159.996
   5    8   20   C3   C3   HC    160.002
   5    8   21   C3   C3   HC     80.004
  20    8   21   HC   C3   HC     79.999
   3    9    5   O3   C3   C3    120.001
   3    9   22   O3   C3   HC    160.004
   3    9   23   O3   C3   HC     79.997
   5    9   22   C3   C3   HC     79.995
   5    9   23   C3   C3   HC    160.002
  22    9   23   HC   C3   HC     80.007
   1   10    2   O3   C3   O3    119.999
   1   10   12   O3   C3   C2     90.000
   1   10   24   O3   C3   HC    150.002
   2   10   12   O3   C3   C2    150.001
   2   10   24   O3   C3   HC     89.999
  12   10   24   C2   C3   HC     60.002
   3   11    4   O3   C3   O3    119.999
   3   11   13   O3   C3   C2     90.000
   3   11   25   O3   C3   HC    150.002
   4   11   13   O3   C3   C2    150.001
   4   11   25   O3   C3   HC     89.999
  13   11   25   C2   C3   HC     60.002
  10   12   14   C3   C2   C2    119.999
  10   12   26   C3   C2   HC    120.001
  14   12   26   C2   C2   HC    120.001
  11   13   15   C3   C2   C2    119.999
  11   13   27   C3   C2   HC    120.001
  15   13   27   C2   C2   HC    120.001
  12   14   28   C2   C2   HC    120.002
  12   14   29   C2   C2   HC    120.001
  28   14   29   HC   C2   HC    119.997
  13   15   30   C2   C2   HC    120.002
  13   15   31   C2   C2   HC    120.001
  30   15   31   HC   C2   HC    119.997


TORSION ANGLES
  10    1    7    5      0.026
  10    1    7   16    179.974
  10    1    7   17    179.974
   7    1   10    2      0.026
   7    1   10   12    179.974
   7    1   10   24    179.974
  10    2    6    5      0.026
  10    2    6   18    179.974
  10    2    6   19    179.974
   6    2   10    1      0.026
   6    2   10   12    179.974
   6    2   10   24    179.974
  11    3    9    5      0.026
  11    3    9   22    179.974
  11    3    9   23    179.974
   9    3   11    4      0.026
   9    3   11   13    179.974
   9    3   11   25    179.974
  11    4    8    5      0.026
  11    4    8   20    179.974
  11    4    8   21    179.974
   8    4   11    3      0.026
   8    4   11   13    179.974
   8    4   11   25    179.974
   7    5    6    2      0.026
   7    5    6   18    179.974
   7    5    6   19    179.974
   8    5    6    2    180.000
   8    5    6   18    180.000
   8    5    6   19    180.000
   9    5    6    2    179.974
   9    5    6   18      0.026
   9    5    6   19      0.026
   6    5    7    1      0.026
   6    5    7   16    179.974
   6    5    7   17    179.974
   8    5    7    1    179.974
   8    5    7   16      0.026
   8    5    7   17      0.026
   9    5    7    1    180.000
   9    5    7   16    180.000
   9    5    7   17    180.000
   6    5    8    4    180.000
   6    5    8   20    180.000
   6    5    8   21    180.000
   7    5    8    4    179.974
   7    5    8   20      0.026
   7    5    8   21      0.026
   9    5    8    4      0.026
   9    5    8   20    179.974
   9    5    8   21    179.974
   6    5    9    3    179.974
   6    5    9   22      0.026
   6    5    9   23      0.026
   7    5    9    3    180.000
   7    5    9   22    180.000
   7    5    9   23    180.000
   8    5    9    3      0.026
   8    5    9   22    179.974
   8    5    9   23    179.974
   1   10   12   14    179.974
   1   10   12   26      0.026
   2   10   12   14      0.026
   2   10   12   26    179.974
  24   10   12   14      0.026
  24   10   12   26    179.974
   3   11   13   15    179.974
   3   11   13   27      0.026
   4   11   13   15      0.026
   4   11   13   27    179.974
  25   11   13   15      0.026
  25   11   13   27    179.974
  10   12   14   28    179.974
  10   12   14   29      0.026
  26   12   14   28      0.026
  26   12   14   29    179.974
  11   13   15   30    179.974
  11   13   15   31      0.026
  27   13   15   30      0.026
  27   13   15   31    179.974


CHIRAL ATOMS
  27   13   15   31    179.974
  27   13   15   31    179.974
  27   13   15   31    179.974