Molecule Editor

Molecule ID: FYI-1016586 Edit

Molecule Structure InChIKey: YKFKEYKJGVSEIX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)C1CCC(=O)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016586
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8426    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    3.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    4.1936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.4957    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6337    1.4020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0551    4.1956    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
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
  2 11  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016586-3D
FYIcenter.com

 29 29  0     0  0  0  0  0  0999 V2000
    3.5145   -0.0001   -0.4850 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4921    0.0000    0.4343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9453   -0.0001   -0.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2358   -1.2591   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2356    1.2592   -0.0586 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904   -1.2850    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6904    1.2852    0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    1.2535    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9932    0.0001   -1.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6626   -1.2536    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3893    0.0000    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4678   -0.0001    1.5335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2434   -1.3172   -1.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2336   -2.1731    0.3166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2337    2.1731    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2429    1.3175   -1.1515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2114   -2.1277   -0.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7608   -1.4012    1.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7613    1.4019    1.4787 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    2.1277   -0.0752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3328    2.1715   -0.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7428    1.1851    0.3143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179    1.3714    1.5714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5494   -0.8891   -2.0286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5497    0.8896   -2.0285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0418   -0.0001   -1.9015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -1.3717    1.5711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7427   -1.1853    0.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3326   -2.1715   -0.0051 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 11  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
M  END
$$$$