Molecule FYI-1016681

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Molecule Summary:

ID: FYI-1016681
Names:
InChIKey: SIXBTZFYFSHXJI-UHFFFAOYSA-N
SMILES: CC(=O)C1CCCC1C

Received at FYIcenter.com on: 2026-02-14

Molecule ID: FYI-1016681 Edit

Molecule Structure InChIKey: SIXBTZFYFSHXJI-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)C1CCCC1C

Download SDF Download SVG Structure in 2D SDF:

FYI-1016681
FYIcenter.com

  9  9  0  0  0  0  0  0  0  0999 V2000
    3.1641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5967    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    2.1544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3315    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7641    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4641    3.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6765    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2362    4.2268    0.0000 O   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
  5  1  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  4  8  1  0  0  0  0
  6  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016681-3D
FYIcenter.com

 23 23  0     1  0  0  0  0  0999 V2000
   -1.7108   -1.1707   -0.7880 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7489    0.8232   -0.3621 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.1637    0.0202    0.5826 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0956    0.1028   -0.3032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5484   -1.3149    0.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6965   -1.3564   -0.1686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    2.2917    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4998   -0.2045   -0.0568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5717    0.8086    0.2415 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3706    0.7706   -1.3923 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3176    0.5213    1.5457 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763    0.4182    0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7004    0.2836   -1.1970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0877   -2.2023    0.7583 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9665   -1.3081    1.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5234   -1.9844    0.1749 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3458   -1.7458   -1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439    2.8159   -0.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1168    2.7870   -0.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2314    2.4103    1.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7168    0.8877    1.3217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2935    1.7783   -0.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5137    0.4880   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 10  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  6 16  1  0  0  0  0
  6 17  1  0  0  0  0
  7 18  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8  9  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
M  END
$$$$

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