Molecule FYI-1015495

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A

Molecule Summary:

ID: FYI-1015495
Names:
InChIKey: BSLJRBCGVKHLME-UHFFFAOYSA-N
SMILES: COC(=O)C(C)(C)CC(C)(C)C(=O)OC

Received at FYIcenter.com on: 2025-09-05

Molecule ID: FYI-1015495 Edit

Molecule Structure InChIKey: BSLJRBCGVKHLME-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)C(C)(C)CC(C)(C)C(=O)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1015495
FYIcenter.com

 15 14  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    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
    2.4249    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7358    1.1914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8168    0.3018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9657    2.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2766    3.0638    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8846    3.4620    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1145    4.8430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0467    1.6828    0.0000 C   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
  1  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  8  1  0  0  0  0
  2  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  9 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015495-3D
FYIcenter.com

 35 34  0     0  0  0  0  0  0999 V2000
   -2.7734   -0.4581   -0.2866 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6516    0.5749   -0.2851 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9916    0.5204    1.6412 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0502   -0.5274    1.6407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8729    0.9776   -0.4846 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9158   -1.0590   -0.4593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0138   -0.0812   -1.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6537    1.8055   -1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0151    1.9594    0.3285 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1269   -2.0768    0.3789 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7523   -1.8572   -1.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9215    0.3318    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174   -0.3204    0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8118   -1.0956    0.4641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6395    1.3062    0.4480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6849   -0.6935   -1.8612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6089    0.4714   -1.9607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9719    2.3935   -2.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2427    1.1672   -2.1994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3515    2.5004   -1.0488 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4025    1.5100    1.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6263    2.8007    0.6805 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    2.3875   -0.2760 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7867   -2.8594    0.7731 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6482   -2.5694   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -1.6133    1.2472 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3201   -1.1969   -2.1510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1100   -2.4854   -2.1131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4771   -2.5103   -0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3798   -1.7623    1.2164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4144   -1.6907   -0.2272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4545   -0.3453    0.9343 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1300    1.9986   -0.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    0.6222    0.8534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694    1.8838    1.2495 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 14  1  0  0  0  0
  2 13  1  0  0  0  0
  2 15  1  0  0  0  0
  3 12  2  0  0  0  0
  4 13  2  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 12  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  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
 14 30  1  0  0  0  0
 14 31  1  0  0  0  0
 14 32  1  0  0  0  0
 15 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
M  END
$$$$

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2025-09-24, 1187👍, 0💬