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Showing structure for CHEM010676: Methyltris(Trimethylsiloxy)Silane
28838 -OEChem-10101916243D 47 46 0 0 0 0 0 0 0999 V2000 0.0024 0.0027 0.3655 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.8823 1.1894 -0.1805 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.4784 1.8936 -0.1736 Si 0 0 0 0 0 0 0 0 0 0 0 0 -0.4133 -3.0809 -0.1791 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2196 0.9983 -0.2055 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4650 0.5633 -0.2070 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2556 -1.5448 -0.2214 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0188 -0.0190 2.2409 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4004 2.7003 -1.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4770 1.4099 1.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7373 -0.3215 -0.9053 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0326 1.5908 -1.1879 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9896 2.2905 1.5921 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5921 3.3930 -0.8840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6167 -4.2798 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4739 -3.7107 1.5919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1651 -3.0751 -0.8645 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9180 -0.5161 2.6160 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0003 0.9995 2.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8533 -0.5523 2.6302 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9400 3.6042 -0.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4869 2.8250 -1.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0893 2.5992 -2.2161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2695 0.5149 2.1839 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5555 1.5918 1.6129 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9749 2.2603 2.0612 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4143 -0.4866 -1.9374 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8230 -0.1880 -0.9012 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4991 -1.2164 -0.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6870 2.4671 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5874 0.7347 -0.7929 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7756 1.3823 -2.2306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4863 1.4303 2.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1173 2.5486 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6817 3.1375 1.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2760 3.1999 -1.9133 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7049 3.6342 -0.2913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2521 4.2654 -0.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1854 -5.2845 -1.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6577 -3.9567 -2.2443 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6395 -4.3301 -0.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8485 -4.7381 1.6208 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5243 -3.6959 2.0393 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1350 -3.0893 2.2026 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1719 -2.7135 -1.8969 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5873 -4.0843 -0.8500 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8109 -2.4241 -0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 2 5 1 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 3 6 1 0 0 0 0 3 12 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 4 17 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 11 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 45 1 0 0 0 0 17 46 1 0 0 0 0 17 47 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 28838 > <PUBCHEM_CONFORMER_RMSD> 0.8 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 2 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 17 1 0.97 10 -0.08 11 -0.08 12 -0.08 13 -0.08 14 -0.08 15 -0.08 16 -0.08 17 -0.08 2 0.54 3 0.54 4 0.54 5 -0.59 6 -0.59 7 -0.59 8 -0.08 9 -0.08 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 6 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 17 > <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> 000070A600000001 > <PUBCHEM_MMFF94_ENERGY> -2.2126 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 11578080 2 17197426941819180953 116883 192 18051972820581309598 11833330 49 17905030800858271152 121448 382 18200574978361238501 12160290 23 18266458891564876137 12553582 1 17474112480529048134 12788726 201 17975125753950818074 13004483 165 17978792642557220978 13681431 1 17545882624773356865 14251757 5 17975977888389503119 14648413 74 17614844011659410389 15502722 9 18049444747049075965 1813 80 17187573178930316082 18186145 218 18270966739232056236 18785283 64 17977689531656953065 20600515 1 17114606190097217865 20645477 70 17903632983010376133 21285901 2 17983865754690182535 21524375 3 18410571743189286585 2255824 54 17980478958555247551 23419403 2 16979900442064459367 23526113 38 17489576896640334008 23557571 272 17981313801403371048 23558518 356 18336820983255514362 23559900 14 17547266927905499141 23598288 3 18045215196547699690 26353 1 17474106978153274151 3060560 45 18263918839543102964 352729 6 18410573989446418461 458136 41 18196673812174117441 7164475 11 18193268826826531772 7364860 26 17835235649715975269 81228 2 18122343746438693259 > <PUBCHEM_SHAPE_MULTIPOLES> 405.1 5.85 5.82 1.73 2.41 6.1 -0.82 -6.17 1.22 -2.44 1.23 0.01 0.01 -0.01 > <PUBCHEM_SHAPE_SELFOVERLAP> 688.414 > <PUBCHEM_SHAPE_VOLUME> 272.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM010676: Methyltris(Trimethylsiloxy)Silane
