ContaminantDB: Showing structure for CHEM045314: hexamethyldisilane

74057
  -OEChem-10101916173D

26 25  0     0  0  0  0  0  0999 V2000
   -1.1776   -0.0001    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
    1.1776    0.0000    0.0000 Si  0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319    1.3910   -1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7319   -1.6481   -0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7318    0.2572    1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319    1.6480    0.6545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7318   -0.2571   -1.7545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -1.3908    1.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680    1.2584   -2.1235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    1.4413   -1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679    2.3564   -0.7348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245   -1.7077   -0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3681   -1.8147   -1.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3680   -2.4682   -0.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3679   -0.5416    2.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3678    1.2100    2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8243    0.2666    1.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8245    1.7075    0.6782 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681    2.4681    0.0279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680    1.8147    1.6732 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679   -1.2100   -2.1514 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3679    0.5416   -2.4082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8244   -0.2664   -1.8179 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3680   -2.3563    0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8246   -1.4411    1.1396 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3681   -1.2582    2.1235 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  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  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
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 21  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
  8 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
74057

> <PUBCHEM_CONFORMER_RMSD>
0.4

> <PUBCHEM_CONFORMER_DIVERSEORDER>
1

> <PUBCHEM_MMFF94_PARTIAL_CHARGES>
8
1 0.24
2 0.24
3 -0.08
4 -0.08
5 -0.08
6 -0.08
7 -0.08
8 -0.08

> <PUBCHEM_EFFECTIVE_ROTOR_COUNT>
1

> <PUBCHEM_PHARMACOPHORE_FEATURES>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
8

> <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>
0001214900000001

> <PUBCHEM_MMFF94_ENERGY>
-0.5682

> <PUBCHEM_FEATURE_SELFOVERLAP>
0

> <PUBCHEM_SHAPE_FINGERPRINT>
12423570 1 12648522328477897965
12932764 1 18408045108407566340
13380535 239 18059017322697437357
15310529 11 17677635101759455886
15557651 10 18048070490441979700
15775835 57 18408041809872689508
16945 1 17466471574272999430
20082192 1 18202845456639229060
20511035 2 17823696352402037781
20711978 78 17313403234879570307
207724 885 17486525644361896834
21922407 69 18189042247888623362
23235687 12 18201439219927297003
23552333 60 18198329844167920267
24536 1 17489586761842582924
5084963 1 18053374676627273976

> <PUBCHEM_SHAPE_MULTIPOLES>
201.06
3.12
1.71
1.71
0
0
0
0
0
0
0
0
0
0

> <PUBCHEM_SHAPE_SELFOVERLAP>
325.45

> <PUBCHEM_SHAPE_VOLUME>
140.7

> <PUBCHEM_COORDINATE_TYPE>
2
5
10

$$$$

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MOL SDF 3D-SDF PDB SMILES InChI

Showing structure for CHEM045314: hexamethyldisilane

Structure for CHEM045314: hexamethyldisilane