ContaminantDB: Showing structure for CHEM005452: DIMETHYLPOLYSILOXANE

24771
  -OEChem-10091908053D

10  9  0     0  0  0  0  0  0999 V2000
    0.0000   -0.1144    0.3405 Si  0  0  0  0  0  0  0  0  0  0  0  0
    0.0005   -1.5105   -0.1359 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5358    0.8120   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5352    0.8128   -0.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5387    1.8099    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4294    0.2869    0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6255    0.9345   -1.1861 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5376    1.8107    0.3470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6249    0.9354   -1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4291    0.2882    0.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  4 10  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
24771

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
0

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
4

> <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>
000060C300000001

> <PUBCHEM_MMFF94_ENERGY>
-0.0645

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
139733 1 8858372118364231747
16714656 1 18121511411841564105
20096714 4 18408040706145475608
21015797 1 8935000394970732659
21040471 1 18410853278353581144
5943 1 12173671401319864746

> <PUBCHEM_SHAPE_MULTIPOLES>
94.66
1.76
1.37
0.78
0
0.41
0.12
-0.77
-0.11
0
-0.1
0
0.01
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
147.84

> <PUBCHEM_SHAPE_VOLUME>
67.6

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D-SDF PDB SMILES InChI

Showing structure for CHEM005452: DIMETHYLPOLYSILOXANE

Structure for CHEM005452: DIMETHYLPOLYSILOXANE