ContaminantDB: Showing structure for CHEM009189: Dimethylsilanediol

14014
  -OEChem-10091909453D

13 12  0     0  0  0  0  0  0999 V2000
   -0.0001    0.0528   -0.0001 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0004    1.0288   -1.3586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0029    1.0240    1.3618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5173   -1.0551   -0.0027 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5207   -1.0505   -0.0004 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5264   -1.6938   -0.8908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5274   -1.6971    0.8830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4316   -0.4546   -0.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5334   -1.6889   -0.8887 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4330   -0.4467    0.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5313   -1.6926    0.8852 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0012    0.5945   -2.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7406    1.6385    1.4812 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  5  1  0  0  0  0
  2 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
14014

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
7
1 0.76
12 0.4
13 0.4
2 -0.7
3 -0.7
4 -0.08
5 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
5

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
1

> <PUBCHEM_CONFORMER_ID>
000036BE00000001

> <PUBCHEM_MMFF94_ENERGY>
-1.6364

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
24536 1 15480730751533770179
5943 1 11787561976077490530

> <PUBCHEM_SHAPE_MULTIPOLES>
109.37
1.57
1.39
1.2
0
0
0
-0.85
0
0
0
0
0.54
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
174.271

> <PUBCHEM_SHAPE_VOLUME>
77

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D-SDF PDB SMILES InChI

Showing structure for CHEM009189: Dimethylsilanediol

Structure for CHEM009189: Dimethylsilanediol