Molecule FYI-1007005

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A

Molecule Summary:

ID: FYI-1007005
Names:
InChIKey: WUOACPNHFRMFPN-UHFFFAOYSA-N
SMILES: CC1=CCC(C(C)(C)O)CC1

Received at FYIcenter.com on: 2024-01-24

Molecule ID: FYI-1007005 Edit

Molecule Structure InChIKey: WUOACPNHFRMFPN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC1=CCC(C(C)(C)O)CC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1007005
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.0124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.3124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.5124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124    2.4249    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.9124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  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
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
  2 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007005-3D
FYIcenter.com

 29 29  0     1  0  0  0  0  0999 V2000
   -2.1424    0.1465   -1.3740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4981   -0.0185    0.3677 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9892    0.0047    0.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1872   -1.2387   -0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1850    1.2743   -0.1063 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6716   -1.2920    0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3670    0.0437    0.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6834    1.1951   -0.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6806    1.1839    0.7229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6498   -1.3121    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8658    0.0132    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3772   -0.0898    1.4590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0954   -1.2109   -1.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2587   -2.1801    0.0798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1099    2.1040    0.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1140    1.5440   -1.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1691   -2.0127   -0.5413 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7744   -1.6707    1.1437 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2201    2.1369   -0.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5109    1.1819    1.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7633    1.1487    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3551    2.1452    0.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3736   -2.1391   -0.2197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4218   -1.5829    1.4789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7406   -1.2352    0.3537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0943    0.1654   -1.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2006   -0.4498    1.0248 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3018    1.0166    0.0414 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2657   -0.5659   -0.7476 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5  8  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 19  1  0  0  0  0
  9 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
 10 24  1  0  0  0  0
 10 25  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
$$$$

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2024-01-31, 1153👍, 0💬