Molecule FYI-1006857

Home > Molecule

A

Molecule Summary:

ID: FYI-1006857
Names:
InChIKey: RKROZYQLIWCOBD-UHFFFAOYSA-N
SMILES: CC(C)C1(O)CCC(C)(O)C(O)C1

Received at FYIcenter.com on: 2024-01-22

Molecule ID: FYI-1006857 Edit

Molecule Structure InChIKey: RKROZYQLIWCOBD-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)C1(O)CCC(C)(O)C(O)C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1006857
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    4.9158    1.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924    1.3610    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7424    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2158    2.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.5598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158    1.3396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5158    3.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1079    3.7723    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6158    2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5667    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3080    3.7801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6035    1.5789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  8  9  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006857-3D
FYIcenter.com

 33 33  0     1  0  0  0  0  0999 V2000
    1.1544   -0.6139    1.3396 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0874    0.9552   -1.4403 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3310   -1.8237    0.8047 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9902    0.0427    0.0796 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9873    0.3043   -0.1684 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1715   -0.8759   -0.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2719    1.3819    0.3035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2880   -1.0498   -0.3918 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.1720    1.1971    0.7829 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3864    0.2729   -0.5041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4103    0.1210    0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2171    1.1480    0.4297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0846   -1.0598   -0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6061   -1.8814   -0.8794 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1792   -0.4731   -1.8671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2760    1.9749   -0.6194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7745    1.9722    1.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8210   -1.6179   -1.1647 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1710    0.7738    1.7950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6358    2.1895    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3036    0.7941   -1.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306    1.0844    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0015   -0.5142   -0.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4189   -0.3268    1.3682 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2733    0.7430    1.4453 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2455    1.2265    0.0579 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8362    2.1720    0.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1114   -0.8810   -1.1003 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6056   -1.6383   -1.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1582   -1.6820    0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3092   -1.5608    1.1878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6172    0.3894   -2.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9110   -2.6802    0.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1 31  1  0  0  0  0
  2  5  1  0  0  0  0
  2 32  1  0  0  0  0
  3  8  1  0  0  0  0
  3 33  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 11  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7  9  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
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 12  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-11, 1559👍, 0💬