Molecule FYI-1003151

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A

Molecule Summary:

ID: FYI-1003151
Names:
InChIKey: IJOLRHXMJRNZNP-UHFFFAOYSA-N
SMILES: C=CC(C)(CCCC(C)C)OC(C)OCC

Received at FYIcenter.com on: 2023-05-15

Molecule ID: FYI-1003151 Edit

Molecule Structure InChIKey: IJOLRHXMJRNZNP-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(C)(CCCC(C)C)OC(C)OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003151
FYIcenter.com

 16 15  0  0  0  0  0  0  0  0999 V2000
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   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  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15  7  1  0  0  0  0
 16 15  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003151-3D
FYIcenter.com

 44 43  0     1  0  0  0  0  0999 V2000
   -0.8224   -0.5218    1.0158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6851   -0.5018   -0.4351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4715    0.8310    0.7124 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0512    0.9782    0.9292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9088    0.1554   -0.0463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4020    0.4209    0.1765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174   -0.4290   -0.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2188    1.7358    1.7010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8651    1.2049   -0.7020 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0282   -1.9156   -0.5021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8010   -0.1503   -0.4796 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2296   -0.7486    0.8974 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.4608   -2.2138    1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2334    2.4167   -1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0688   -0.7761   -0.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4532   -0.4857   -2.0434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3362    2.0351    0.8409 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2999    0.6633    1.9516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6653    0.4007   -1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6710   -0.9012    0.1081 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6505    0.2309    1.2288 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6098    1.4827   -0.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0995   -0.1894   -1.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1713    1.3239    2.7168 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2799    1.8715    1.4610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7777    2.7394    1.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7249    0.4404   -1.4660 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7664   -2.5339   -1.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498   -2.2033   -0.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0670   -2.1789    0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0266    0.9078   -0.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -0.3972    0.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4275   -0.7390   -1.1578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936   -0.1489    1.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9047   -2.4875    2.1485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5150   -2.4376    1.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1127   -2.8681    0.4374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4370    2.5748   -2.1901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3343    3.2715   -0.4788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6588   -0.1516    0.0712 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2951   -1.8291   -0.4215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5150   -0.6850   -2.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2463    0.5603   -2.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8636   -1.0992   -2.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 12  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 14  2  0  0  0  0
  9 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 16 44  1  0  0  0  0
M  END
$$$$

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2023-06-12, 1683👍, 0💬