Molecule FYI-1011252

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Molecule Summary:

ID: FYI-1011252
Names: NEOPENTANE;
InChIKey: CRSOQBOWXPBRES-UHFFFAOYSA-N
SMILES: CC(C)(C)C

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

Molecule ID: FYI-1011252 Edit

Molecule Names: NEOPENTANE;

Molecule Structure InChIKey: CRSOQBOWXPBRES-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1011252
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    2.8660    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -0.8660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0420   -0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4220    1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0560    1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8291    0.5560    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8291   -1.1760    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6760   -1.4030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -0.5560    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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011252-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3467    0.3727    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8961    1.2449   -0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2359   -0.5385   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6864   -1.0791    0.8496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2106    0.7613    1.6520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8616    1.1428    0.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0095   -0.4977    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8669    1.0100   -0.5184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0828    1.6532    0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4318    2.0348   -0.6688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8737   -1.4294   -1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7257    0.2109   -2.0501 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7093   -0.8138   -1.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8684   -0.7234    1.8699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6524   -1.3666    0.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0693   -1.9822    0.9165 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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$

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2024-08-06, 1496👍, 0💬