Molecule FYI-1016719

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A

Molecule Summary:

ID: FYI-1016719
Names:
InChIKey: ZDKRUHFGYIDGHT-UHFFFAOYSA-N
SMILES: CC1=CCC(C(C)(C)C)CC1

Received at FYIcenter.com on: 2026-02-28

Molecule ID: FYI-1016719 Edit

Molecule Structure InChIKey: ZDKRUHFGYIDGHT-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016719
FYIcenter.com

 11 11  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    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
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  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  1  2  0  0  0  0
  1  7  1  0  0  0  0
  4  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016719-3D
FYIcenter.com

 31 31  0     1  0  0  0  0  0999 V2000
   -0.4960   -0.0248    0.3690 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.9875    0.0006    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1898   -1.2375   -0.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1854    1.2737   -0.0919 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6747   -1.2934    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6496    1.2079    0.7279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1851    0.1124   -1.4791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6520   -1.2925    0.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3688    0.0438    0.0337 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6839    1.1957   -0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8676    0.0142    0.0875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3700   -0.1046    1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1345   -1.2003   -1.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2586   -2.1840    0.0473 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045    2.0948    0.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0816    1.5734   -1.1072 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1732   -2.0070   -0.5631 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7782   -1.6824    1.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3214    2.1629    0.3051 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7390    1.1742    0.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4401    1.2185    1.8033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493   -0.7182   -2.0400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8300    1.0524   -1.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2599    0.0834   -1.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3989   -1.4917    1.5917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7444   -1.2150    0.4836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3770   -2.1684   -0.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2199    2.1388   -0.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2039   -0.4586    1.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3025    1.0184    0.0483 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2671   -0.5556   -0.7577 H   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
  1 12  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 10  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  9  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 11 31  1  0  0  0  0
M  END
$$$$

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2026-03-22, 929👍, 0💬