Molecule FYI-1003680

Home > Molecule

A

Molecule Summary:

ID: FYI-1003680
Names: PENTANE;
InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N
SMILES: CCCCC

Received at FYIcenter.com on: 2023-07-18

Molecule ID: FYI-1003680 Edit

Molecule Names: PENTANE;

Molecule Structure InChIKey: OFBQJSOFQDEBGM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1003680
FYIcenter.com

  5  4  0  0  0  0  0  0  0  0999 V2000
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1967    0.7266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    0.0535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6210    0.7800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8486    0.1070    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003680-3D
FYIcenter.com

 17 16  0     0  0  0  0  0  0999 V2000
    0.0000    0.3478   -0.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2621   -0.5140   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2621   -0.5140   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5198    0.3401    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5199    0.3401    0.0115 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9783   -0.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.0201    0.8439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2800   -1.1710   -0.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2583   -1.1576    0.8874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2799   -1.1710   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2582   -1.1576    0.8873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5484    0.9847    0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5708    0.9752   -0.8788 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4101   -0.2964    0.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5484    0.9848    0.8958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4101   -0.2964    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5709    0.9750   -0.8787 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  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3  5  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-07-29, 3773👍, 0💬