Molecule FYI-1000214

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Molecule Summary:

ID: FYI-1000214
SMILES: CCOC(=O)C(C)(C)C=O

Received at FYIcenter.com on: 2020-12-23

Molecule ID: FYI-1000214 Edit

Molecule Structure SMILES String: CCOC(=O)C(C)(C)C=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000214
FYIcenter.com

 10  9  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 O   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000214-3D
FYIcenter.com

 22 21  0  0  0  0  0  0  0  0999 V2000
    3.3330   -2.0484   -0.5907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6437   -1.2891   -0.6326 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980   -0.2417   -1.6143 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5632    1.0386   -1.1546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3855    1.3507    0.0171 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9501    2.0354   -2.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4003    1.6403   -3.6204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4304    3.4340   -1.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4643    2.1098   -2.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1643    1.9022   -3.2504 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3995   -2.8801    0.1174 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0836   -2.4501   -1.5776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098   -1.3949   -0.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4465   -1.9659   -0.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9063   -0.9149    0.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3068    1.5824   -3.6084 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7821    0.6675   -3.9505 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    2.3702   -4.3837 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3359    3.4536   -1.8399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7569    4.1772   -2.6209 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8056    3.7666   -0.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9351    2.3803   -1.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 14  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 10  2  0  0  0  0
  9 22  1  0  0  0  0
M  END
$$$$

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2021-08-01, 2400👍, 0💬