Molecule FYI-1016587

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Molecule Summary:

ID: FYI-1016587
Names:
InChIKey: KKVBULDFFNFYHJ-UHFFFAOYSA-N
SMILES: O=C1OC2CCCC1C2

Received at FYIcenter.com on: 2026-01-26

Molecule ID: FYI-1016587 Edit

Molecule Structure InChIKey: KKVBULDFFNFYHJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1OC2CCCC1C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016587
FYIcenter.com

  9 10  0  0  0  0  0  0  0  0999 V2000
    2.4216    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4216    2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    2.7961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2108    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8311    3.3665    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484    3.5858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6743    4.4841    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  6  1  0  0  0  0
  6  1  1  0  0  0  0
  2  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  4  1  0  0  0  0
  7  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016587-3D
FYIcenter.com

 19 20  0     1  0  0  0  0  0999 V2000
    0.5927    1.1467   -0.6252 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248   -0.3761   -0.5808 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4291   -0.5845    0.9438 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6485    1.2679    0.0951 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3185    0.6409    1.4307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5446   -1.5970    0.3330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7459    0.4643   -0.6158 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3529   -1.0047   -0.8327 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2639    0.0423   -0.1481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.0153    1.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9195    2.3235    0.1902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1960    0.4155    2.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3542    1.2911    2.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2377   -1.9404    1.1108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004   -2.4797   -0.0229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9614    0.9130   -1.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6682    0.5106   -0.0244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7459   -1.0700   -1.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2457   -1.6117   -1.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  9  1  0  0  0  0
  2  9  2  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 11  1  0  0  0  0
  5 12  1  0  0  0  0
  5 13  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
M  END
$$$$

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2026-02-02, 638👍, 0💬