Molecule Editor

Molecule ID: FYI-1016026 Edit

Molecule Structure InChIKey: QDMFTFWKTYXBIW-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1016026
FYIcenter.com

  8  7  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  5  2  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016026-3D
FYIcenter.com

 24 23  0     1  0  0  0  0  0999 V2000
    0.0722    0.9400   -0.0537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3470    0.4599    0.3101 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1960   -0.0765    0.1897 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5732    0.4226   -0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3622    1.5661    0.0055 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7282   -0.7888   -0.4450 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6627   -0.5800    0.1009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0667   -1.9432    0.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2957    1.8494    0.5195 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0940    1.2330   -1.1123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3737    0.2635    1.3899 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9810   -1.0079   -0.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2191   -0.3246    1.2581 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7948    1.3777    0.2414 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5762    0.6031   -1.3296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3754    1.2566    0.2861 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1248    2.4748    0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3717    1.8237   -1.0597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7263   -0.7403   -1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4857   -1.5400   -0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6391   -0.2058   -0.2222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7057   -0.7527    1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3313   -2.8068   -0.4594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0853   -2.0478    1.2199 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  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  7  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  2  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
M  END
$$$$