Molecule FYI-1004169

A

Molecule Summary:

ID: FYI-1004169
Names:
InChIKey: SMLJDEUHEIJCNJ-UHFFFAOYSA-N
SMILES: CC2C(=O)CC1C3(C)CCC1(C(C)C(=O)O[Si](C)(C)C)C(=O)C23

Received at FYIcenter.com on: 2023-08-19

Molecule ID: FYI-1004169 Edit

Molecule Structure InChIKey: SMLJDEUHEIJCNJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CC2C(=O)CC1C3(C)CCC1(C(C)C(=O)O[Si](C)(C)C)C(=O)C23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004169
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   10.4513    2.5802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1760    2.2213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8565    3.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6811    4.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4848    5.3769    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7365    3.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2788    1.3705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4542    0.7592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6383    2.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3281    1.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5400    0.6123    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8224    0.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7514    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7582    1.6179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5893    3.8002    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5893    5.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420    3.1378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4420    1.8130    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2946    3.8002    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1473    3.1378    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.8097    1.9905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4849    4.2851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9  3  1  0  0  0  0
 10  9  1  0  0  0  0
 10  6  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13 12  2  0  0  0  0
 14  9  1  0  0  0  0
 15  6  1  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004169-3D
FYIcenter.com

 51 53  0  0  1  0  0  0  0  0999 V2000
    0.9269   -0.0082   -0.6013 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4666    0.0128   -0.5877 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9212   -0.6889    0.7052 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7102   -1.8796    0.9066 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6556    0.1775    1.8100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1234    1.6607    1.5024 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5934    1.5002    0.0313 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.4373    0.4814   -0.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4975    2.7659    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6163    3.9004    0.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3695    3.1942    1.0351 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.6189    4.2965    1.8353 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.1376    5.4608    0.8929 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4473    3.9209    2.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1313    2.7748    2.9758 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8878    5.0667    3.2085 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3769    5.2444    4.2655 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.9788    7.0548    4.3428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8589    4.2062    3.7929 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1532    4.8203    6.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6387    2.7954   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9046    3.4348   -0.9836 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0683    1.4195   -0.5085 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.5578   -0.9747   -0.9609 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5133    0.7808   -1.2347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5154    0.1220    0.4106 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8559   -0.5164   -1.4550 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6054   -0.3891    1.8924 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1573    0.0655    2.7734 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8937    1.8955    2.2474 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4524    0.3832   -0.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5391    0.8661   -1.7536 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0075   -0.5122   -0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0579    2.9585   -0.8757 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2705    2.6358    0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4043    4.4868   -0.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1393    4.5603    1.1608 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3531    4.7418    2.5283 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1969    5.1995    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614    5.7323    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9385    6.3834    1.4475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3589    7.3888    3.3730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1666    7.7209    4.6496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7886    7.1450    5.0764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1797    4.4322    2.7777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6948    4.3962    4.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6140    3.1401    3.8475 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869    5.4570    6.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4691    3.7764    6.0744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6754    4.9765    6.7122 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4001    1.3892    0.3897 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 28  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 20  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 18 44  1  0  0  0  0
 19 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 780👍, 0💬