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Cyclopentanecarbaldehyde
Cyclopentanecarbaldehyde ID: API-42682
CAS:872-53-7
Supplier:APIchem

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SMILES:O=CC1CCCC1	ChemMol.com
FORMULA: C6H10O
MASS: 98.1430
EXACT MASS: 98.0731649
INTERATOMIC DISTANCES

              O   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   O   1    0.0000 
   C   2    1.7320     0.0000 
   C   3    2.6767     1.0000     0.0000 
   C   4    2.0886     1.0000     1.6180     0.0000 
   C   5    3.3317     1.6180     0.9999     1.6180     0.0000 
   C   6    3.0608     1.6180     1.6180     0.9999     1.0000     0.0000 
   C   7    1.0000     1.0000     1.7820     1.7820     2.5876     2.5876 
   H   8    1.2582     0.6200     1.6153     0.9064     2.1026     1.8211 
   H   9    2.3947     1.6116     2.1989     0.6200     2.0014     1.1202 
   H  10    1.5713     1.1202     2.0014     0.6201     2.1989     1.6116 
   H  11    2.5190     1.1202     0.6201     2.0014     1.6116     2.1989 
   H  12    3.2402     1.6116     0.6200     2.1989     1.1202     2.0014 
   H  13    3.7316     2.0013     1.1201     2.1988     0.6199     1.6116 
   H  14    3.8801     2.1989     1.6116     2.0014     0.6200     1.1202 
   H  15    3.6807     2.1989     2.0014     1.6116     1.1202     0.6200 
   H  16    3.1768     2.0014     2.1989     1.1201     1.6117     0.6200 
   H  17    1.4157     1.4158     1.9172     2.3266     2.8490     3.0316 

              C   7      H   8      H   9      H  10      H  11      H  12
              ------------------------------------------------------------------
   C   7    0.0000 
   H   8    0.9063     0.0000 
   H   9    2.2972     1.3910     0.0000 
   H  10    1.5350     0.6569     0.8297     0.0000 
   H  11    1.5350     1.7041     2.6162     2.2380     0.0000 
   H  12    2.2972     2.2302     2.7508     2.6162     0.8297     0.0000 
   H  13    2.8880     2.5595     2.6162     2.7508     1.6169     0.8704 
   H  14    3.1853     2.6294     2.2380     2.6163     2.2129     1.6169 
   H  15    3.1853     2.4397     1.6169     2.2129     2.6163     2.2380 
   H  16    2.8881     2.0264     0.8704     1.6169     2.7509     2.6163 
   H  17    0.6200     1.4981     2.8773     2.1433     1.4801     2.3076 

              H  13      H  14      H  15      H  16      H  17
              -------------------------------------------------------
   H  13    0.0000 
   H  14    0.8297     0.0000 
   H  15    1.6169     0.8704     0.0000 
   H  16    2.2129     1.6170     0.8298     0.0000 
   H  17    3.0317     3.4669     3.5992     3.4011     0.0000 



ATOMIC CHARGES
   O   1   -0.3007415728
   C   2    0.0144801395
   C   3   -0.0437793833
   C   4   -0.0437793833
   C   5   -0.0524106525
   C   6   -0.0524106525
   C   7    0.1233643478
   H   8    0.0374415730
   H   9    0.0271855769
   H  10    0.0271855769
   H  11    0.0271855769
   H  12    0.0271855769
   H  13    0.0265475173
   H  14    0.0265475173
   H  15    0.0265475173
   H  16    0.0265475173
   H  17    0.1029032073


BOND ANGLES
   3    2    4   C3   C3   C3    107.997
   3    2    7   C3   C3   C2    126.001
   3    2    8   C3   C3   HC    171.002
   4    2    7   C3   C3   C2    126.001
   4    2    8   C3   C3   HC     63.004
   7    2    8   C2   C3   HC     62.997
   2    3    5   C3   C3   C3    108.001
   2    3   11   C3   C3   HC     83.996
   2    3   12   C3   C3   HC    167.992
   5    3   11   C3   C3   HC    168.003
   5    3   12   C3   C3   HC     84.007
  11    3   12   HC   C3   HC     83.996
   2    4    6   C3   C3   C3    108.001
   2    4    9   C3   C3   HC    167.992
   2    4   10   C3   C3   HC     83.996
   6    4    9   C3   C3   HC     84.007
   6    4   10   C3   C3   HC    168.003
   9    4   10   HC   C3   HC     83.996
   3    5    6   C3   C3   C3    108.000
   3    5   13   C3   C3   HC     84.000
   3    5   14   C3   C3   HC    167.999
   6    5   13   C3   C3   HC    167.999
   6    5   14   C3   C3   HC     84.001
  13    5   14   HC   C3   HC     83.999
   4    6    5   C3   C3   C3    108.000
   4    6   15   C3   C3   HC    167.999
   4    6   16   C3   C3   HC     83.999
   5    6   15   C3   C3   HC     84.001
   5    6   16   C3   C3   HC    168.001
  15    6   16   HC   C3   HC     84.001
   1    7    2   O2   C2   C3    120.001
   1    7   17   O2   C2   HC    119.998
   2    7   17   C3   C2   HC    120.002


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