Molecule FYI-1015381

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A

Molecule Summary:

ID: FYI-1015381
Names:
InChIKey: KKPMSGCQFNKXPT-UHFFFAOYSA-N
SMILES: CCOCC(C)OCC(C)OCCO

Received at FYIcenter.com on: 2025-08-22

Molecule ID: FYI-1015381 Edit

Molecule Structure InChIKey: KKPMSGCQFNKXPT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOCC(C)OCC(C)OCCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1015381
FYIcenter.com

 14 13  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  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  5  1  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  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015381-3D
FYIcenter.com

 36 35  0  0  1  0  0  0  0  0999 V2000
    0.9315   -0.1743   -0.2551 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4455   -0.2179   -0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9139   -0.9272    0.8257 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339   -1.0697    0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7787   -1.9127    2.0228 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1279   -3.3013    1.9718 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2145   -1.9932    1.9922 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7562   -2.6438    3.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2910   -2.7139    3.0832 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.8984   -1.3128    3.1329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8247   -3.4570    4.1951 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4856   -4.8524    4.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1438   -5.5501    5.3474 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7018   -4.9479    6.5635 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217    0.3774   -1.1026 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5972    0.3011    0.6731 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5163   -1.1881   -0.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8532    0.7984   -0.3103 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7648   -0.7298   -1.2311 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8045   -0.0812    0.8660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6602   -1.5488   -0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4614   -1.4034    2.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5616   -3.9032    1.1656 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0461   -3.2421    1.8278 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2909   -3.8495    2.9057 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3658   -3.6602    3.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4319   -2.1398    4.0575 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6120   -3.1830    2.1441 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6813   -0.8254    4.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5235   -0.6781    2.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9895   -1.3663    3.0486 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8169   -5.2993    3.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4039   -4.9673    4.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2314   -5.4600    5.3053 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8680   -6.6091    5.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8322   -3.9884    6.4344 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 36  1  0  0  0  0
M  END
$$$$

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2025-11-06, 1027👍, 0💬