Molecule FYI-1016649

Home > Molecule

A

Molecule Summary:

ID: FYI-1016649
Names:
InChIKey: KKVMCLPBPIXYMD-UHFFFAOYSA-N
SMILES: CCCCCCCCC(=O)OCC(CO)OC

Received at FYIcenter.com on: 2026-02-04

Molecule ID: FYI-1016649 Edit

Molecule Structure InChIKey: KKVMCLPBPIXYMD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCC(=O)OCC(CO)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1016649
FYIcenter.com

 17 16  0  0  0  0  0  0  0  0999 V2000
    0.0000    1.9106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8865    2.9941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098    2.3132    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1400    3.2612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6709    0.9838    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2840    2.4543    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4257    3.2646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3499    4.6625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5993    2.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5762    3.5041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9331    3.1596    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9100    4.1625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2669    3.8179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2438    4.8208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6007    4.4762    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5776    5.4791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670    0.0000    0.0000 C   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
  3  5  1  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016649-3D
FYIcenter.com

 43 42  0  0  1  0  0  0  0  0999 V2000
    0.9686   -0.0851   -0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4887   -0.0867   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0371    1.0085    0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5665    1.0084    0.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1023    2.1076    1.8417 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6321    2.1272    1.8734 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1280    3.2378    2.7985 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6454    3.2975    2.8661 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0895    4.4121    3.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3502    5.1817    4.3776 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4639    4.4719    3.7849 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9682    5.7789    4.0515 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9087    6.1845    5.5269 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.7502    5.2085    6.3807 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7048    5.5073    7.7729 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.4024    7.5313    5.6737 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6355    8.4916    4.9443 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5938   -0.8749   -0.6734 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5812    0.8725   -0.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676   -0.2596    0.9884 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8587    0.0595   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8454   -1.0665    0.3365 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6595    0.8605    1.9303 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6729    1.9861    0.5717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9458    1.1586   -0.0918 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9318    0.0328    1.2687 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7177    1.9563    2.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7308    3.0816    1.4997 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0219    2.2846    0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0081    1.1579    2.2209 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7228    3.0811    3.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7366    4.2025    2.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0649    3.4967    1.8773 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0514    2.3531    3.2492 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3886    6.4645    3.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9981    5.8579    3.6846 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8733    6.1527    5.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8016    5.2256    6.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3886    4.1804    6.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8724    6.4616    7.8677 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1529    9.4558    4.9881 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6358    8.6044    5.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5499    8.2547    3.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 16  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
 17 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-03-22, 436👍, 0💬