Molecule FYI-1011237

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A

Molecule Summary:

ID: FYI-1011237
Names: HEXENE;
InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N
SMILES: CCCCC=C

Received at FYIcenter.com on: 2024-07-30

Molecule ID: FYI-1011237 Edit

Molecule Names: HEXENE;

Molecule Structure InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC=C

Download SDF Download SVG Structure in 2D SDF:

FYI-1011237
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
    3.7320   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306   -0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9966    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1996    0.7249    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.2869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -0.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671   -0.0600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011237-3D
FYIcenter.com

 18 17  0     0  0  0  0  0  0999 V2000
    0.5677    0.2822   -0.1636 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8557   -0.4639    0.1863 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6527   -0.6336   -0.0498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0759    0.4307    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9128    0.0888   -0.4248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9340    0.2958    0.4140 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4498    1.1441    0.5054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6409    0.6773   -1.1849 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702   -1.3366   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8030   -0.8345    1.2166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5354   -1.4945   -0.7189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212   -1.0310    0.9702 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1763    0.7903   -0.9912 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9849   -0.1223    0.2945 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0082    1.2994    0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9945    0.4543   -1.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8212    0.8223    0.0796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9046   -0.0519    1.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  4  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 16  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1519👍, 0💬