Molecule FYI-1013816

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A

Molecule Summary:

ID: FYI-1013816
Names:
InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N
SMILES: COCCOC

Received at FYIcenter.com on: 2025-01-28

Molecule ID: FYI-1013816 Edit

Molecule Structure InChIKey: XTHFKEDIFFGKHM-UHFFFAOYSA-N

Molecule Structure SMILES String: COCCOC

Download SDF Download SVG Structure in 2D SDF:

FYI-1013816
FYIcenter.com

 12 11  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1  8  1  0  0  0  0
  5  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013816-3D
FYIcenter.com

 16 15  0     0  0  0  0  0  0999 V2000
    1.7485    0.4951   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7485   -0.4951   -0.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6437   -0.4009   -0.0003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6437    0.4009   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9854   -0.2036    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9854    0.2035    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6790   -1.0525   -0.8819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6837   -1.0417    0.8889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6790    1.0524   -0.8820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6838    1.0418    0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7958    0.5303   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0805   -0.8432   -0.8718 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0713   -0.8034    0.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0713    0.8031    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7957   -0.5305   -0.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0805    0.8432   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1  5  1  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  6 16  1  0  0  0  0
M  END
$$$$

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2025-02-16, 733👍, 0💬