Molecule FYI-1015018

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A

Molecule Summary:

ID: FYI-1015018
Names:
InChIKey: QTGAEXCCAPTGLB-QZFXXANLSA-N
SMILES: C/C2=C/CC(C)(C)/C=C\\CC1(C)OC1CC2

Received at FYIcenter.com on: 2025-06-15

Molecule ID: FYI-1015018 Edit

Molecule Structure InChIKey: QTGAEXCCAPTGLB-QZFXXANLSA-N

Molecule Structure SMILES String: C/C2=C/CC(C)(C)/C=C\CC1(C)OC1CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015018
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    6.2410    6.1883    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3242    5.1303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    3.9525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3242    1.3747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    0.9924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    1.9092    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6068    4.5958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2463    4.2657    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6650    5.5126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0507    5.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5891    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6472    0.9168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  2  1  0  0  0  0
 14  9  1  0  0  0  0
 15  5  1  0  0  0  0
 16  5  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015018-3D
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
   -2.9366    0.2350    1.0124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4328    0.7508   -0.2253 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5384   -0.7406    0.0358 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4050   -1.6137    0.4665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1724    1.5678   -0.1565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5054    1.3388   -1.0828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4826   -1.9539   -0.7073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2711    1.4127    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104    1.2128   -0.0271 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9324   -2.2207   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0623    1.2472    1.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9387    0.0173   -1.0089 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9564   -1.3539   -0.3799 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077    1.1319    0.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    2.5320   -0.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1521   -3.5635    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3164   -1.3013   -0.4680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8185   -2.5425    0.8795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8493   -1.1534    1.2896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4568    2.6287   -0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6302    1.3958   -1.0881 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7750    2.3413   -0.7336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1616    1.4182   -2.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4200    0.7353   -1.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5110   -1.1587   -1.4571 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8692   -2.8369   -1.2329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7811    1.4416    1.9958 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4646    1.1459    2.0907 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7634    0.0384   -1.7358 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0449    0.1595   -1.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9332   -1.6649   -0.0121 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3025    1.0764   -0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7041    2.0155    1.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6036    0.2545    1.2885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9165    2.5729   -1.5430 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1639    2.6503   -1.4090 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1733    3.4030   -0.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5336   -3.6622    1.2965 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -3.7165    0.6978 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8873   -4.3667   -0.2968 H   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  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  7  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  8  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 11  2  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 13  2  0  0  0  0
 10 16  1  0  0  0  0
 11 28  1  0  0  0  0
 12 13  1  0  0  0  0
 12 29  1  0  0  0  0
 12 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 32  1  0  0  0  0
 14 33  1  0  0  0  0
 14 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-18, 923👍, 0💬