Molecule FYI-1006949

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A

Molecule Summary:

ID: FYI-1006949
Names:
InChIKey: JGQFVRIQXUFPAH-UHFFFAOYSA-N
SMILES: C=C(C)CCCC(C)CCO

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

Molecule ID: FYI-1006949 Edit

Molecule Structure InChIKey: JGQFVRIQXUFPAH-UHFFFAOYSA-N

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

Download SDF Download SVG Structure in 2D SDF:

FYI-1006949
FYIcenter.com

 11 10  0  0  0  0  0  0  0  0999 V2000
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  7  8  1  0  0  0  0
  1  9  2  0  0  0  0
  2  9  1  0  0  0  0
  5  9  1  0  0  0  0
  3 10  1  0  0  0  0
  6 10  1  0  0  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006949-3D
FYIcenter.com

 31 30  0     1  0  0  0  0  0999 V2000
    2.9862   -2.4245   -0.0838 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7777    1.1394    0.4681 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4779    1.2308   -0.3555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6877    0.4420    0.2502 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2552   -0.2996    0.7397 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8749    1.9716   -0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9532    0.5858   -0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5886   -1.1230   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1150   -0.2092   -0.0555 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9314   -1.6948    0.0651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2731    0.3815    0.2777 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5805    1.5969    1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6597    0.8817   -1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1864    2.2860   -0.4380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8818    0.7921    1.2713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4155   -0.6160    0.3121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1496   -0.2613    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5183   -0.8381    1.3478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8092    1.9189    0.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0750    1.6325   -1.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5785    3.0249   -0.2577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2155    1.6486   -0.6796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7493    0.2433   -1.6250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7197   -1.2280   -1.1548 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4136   -0.6803   -1.0640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2200   -1.9371    0.8603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8722   -2.2044    0.3004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5616   -2.1114   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1920   -2.9300   -0.8886 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4102    1.4531    0.1788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1107   -0.1927    0.6594 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4  7  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  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  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  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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2024-01-31, 1198👍, 0💬