Molecule FYI-1000183

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Molecule Summary:

ID: FYI-1000183
SMILES: C[C@H]1CCO[C@H](C1)C=C(C)C

Received at FYIcenter.com on: 2020-11-09

Molecule ID: FYI-1000183 Edit

Molecule Structure SMILES String: C[C@H]1CCO[C@H](C1)C=C(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1000183
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    4.5981    2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.2500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.1350    1.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.2500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7321   -0.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321    0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.7500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -2.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2181    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.8700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781    2.2500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762   -0.8326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747   -0.1423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    1.3326    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.6423    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -0.4400    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4221   -2.7869    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.5600    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0421   -1.7131    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  2  9  1  0  0  0  0
  7 10  1  1  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 10 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000183-3D
FYIcenter.com

 29 29  0  0  1  0  0  0  0  0999 V2000
    3.0871    0.5125    1.4361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5912    0.1422    0.0419 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0678    1.1517   -1.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6805    0.7009   -2.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1622   -0.6175   -2.6813 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993   -1.5787   -1.7802 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0500   -1.2664   -0.3510 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0637   -2.9412   -2.2077 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -4.0989   -2.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0183   -4.2281   -1.4634 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9672   -5.3979   -2.5712 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7242    1.5043    1.7252 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1814    0.5246    1.4814 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7257   -0.2064    2.1789 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4932    0.1541    0.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1604    1.2375   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6486    2.1435   -0.8062 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    1.3746   -3.1558 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5932    0.7261   -2.5534 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5087   -1.5097   -1.8658 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1456   -1.3184   -0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6451   -2.0044    0.3521 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0558   -2.9587   -2.6573 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6384   -3.2896   -1.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0519   -4.9457   -0.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966   -4.5841   -2.2046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9622   -5.2696   -3.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3208   -5.8441   -3.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0596   -6.1040   -1.7391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2  1  1  0  0  0  0
  2 15  1  1  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 20  1  6  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  2  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2020-11-22, 387👍, 0💬