Molecule FYI-1015496

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A

Molecule Summary:

ID: FYI-1015496
Names:
InChIKey: HEFKGVCVBGIDPZ-UHFFFAOYSA-N
SMILES: COC(=O)C(C)(C)C(C)(CO)C(=O)OC

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015496 Edit

Molecule Structure InChIKey: HEFKGVCVBGIDPZ-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(C)(C)C(C)(CO)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015496
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    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
    3.7358    1.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    3.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    3.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    4.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    1.6828    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3108    1.0812    0.0000 O   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
  2  4  2  0  0  0  0
  2  5  1  0  0  0  0
  5  6  1  0  0  0  0
  1  7  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
  8 14  1  0  0  0  0
  1  8  1  0  0  0  0
 14 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015496-3D
FYIcenter.com

 33 32  0  0  1  0  0  0  0  0999 V2000
    6.5356   -0.6498    2.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1862   -0.1138    1.1757 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0781    0.6758    1.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4715    0.9978    2.1940 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6955    1.1482   -0.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1510    0.0998   -1.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1458    1.1380   -0.2850 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2984    2.5872   -0.4991 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.9174    3.1215   -1.9056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8126    3.6368    0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2624    4.9554    0.2222 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8344    2.5044   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5304    2.2096   -1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3342    2.7924    0.7680 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7613    2.7844    0.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3668   -1.3480    2.3095 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   -1.2030    2.8829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8619    0.1489    3.1246 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7385   -0.8901   -1.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2382   -0.0178   -1.3138 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8111    0.3539   -2.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7572    0.1310   -0.0866 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7660    1.4417   -1.2655 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6955    1.7905    0.4695 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8370    3.2597   -2.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2523    2.4601   -2.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3880    4.0945   -2.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1347    3.4164    1.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7213    3.6927    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2279    4.9792    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0416    3.0067    1.8808 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1785    3.5634    0.2017 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1607    1.8011    0.5820 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
  9 27  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 777👍, 0💬