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Showing structure for CHEM043690: 1,1,3,3,5,5,7,7,7-Nonamethyltetrasiloxan-1-ol
83204 -OEChem-10101915133D 45 44 0 0 0 0 0 0 0999 V2000 -1.0479 1.6293 0.3656 Si 0 0 0 0 0 0 0 0 0 0 0 0 -2.8038 -0.9538 -0.1625 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0416 1.3876 -0.2603 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0660 -1.7615 0.0939 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.4789 0.0301 0.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 1.7272 0.5522 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -0.2471 -0.6141 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6651 -1.9376 0.9915 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9190 2.2884 1.8988 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5870 2.6945 -1.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6895 -0.4732 -1.7503 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0325 -0.8390 1.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 -2.7469 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5174 1.8656 0.8031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1193 2.4040 -1.8407 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1387 -3.0815 -1.2441 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5718 -1.9859 1.1958 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0039 2.2858 1.7607 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6793 1.6718 2.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6023 3.3149 2.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2206 3.7185 -0.9702 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1962 2.2940 -2.0279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6781 2.7276 -1.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0876 0.5430 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0025 -0.5153 -2.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5227 -1.1543 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4405 0.1727 1.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8644 -1.5322 1.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5475 -1.0901 2.2058 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8372 -3.1062 0.6285 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1013 -3.3859 -0.5796 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4913 -2.8500 -1.0948 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5158 2.9419 0.9989 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4867 1.3436 1.7637 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4539 1.6082 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0240 3.4707 -1.6180 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0729 2.2429 -2.3521 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3142 2.1201 -2.5242 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0513 -2.9776 -1.8381 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1277 -4.0809 -0.7995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2789 -2.9937 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5563 -1.2701 2.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5911 -2.9949 1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4929 -1.8338 0.6254 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5306 -2.7785 1.4600 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 9 1 0 0 0 0 1 10 1 0 0 0 0 2 5 1 0 0 0 0 2 11 1 0 0 0 0 2 12 1 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 14 1 0 0 0 0 3 15 1 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 8 45 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 10 21 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 11 25 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 83204 > <PUBCHEM_CONFORMER_RMSD> 0.8 > <PUBCHEM_CONFORMER_DIVERSEORDER> 16 47 72 49 4 3 54 48 62 61 70 46 52 56 22 45 32 37 59 66 12 14 25 28 55 33 7 64 41 2 43 63 60 65 21 26 57 36 42 71 23 53 44 18 27 51 30 58 39 50 17 20 34 9 15 38 31 13 35 69 5 40 8 29 67 19 11 68 10 24 1 6 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 18 1 0.76 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 0.76 4 0.76 45 0.4 5 -0.59 6 -0.59 7 -0.59 8 -0.7 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> 0001450400000010 > <PUBCHEM_MMFF94_ENERGY> -2.9914 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 12553582 1 18343306972082267535 12788726 201 17846787282566526873 13140716 1 17906455785160615848 14178342 30 18054229010167965555 1420 336 18194967339941666579 14223421 5 18411419488313572796 14251757 17 17751614621196481309 14787075 74 17841985886970844872 15375462 189 18268438004348153867 16945 1 18127983094597134105 17492 54 17321548623223940877 20600515 1 17759192459345458467 20645477 70 18411125957574945039 20905425 154 18339077189573438854 21285901 2 18117250680484281517 21421861 104 18341626905334977569 21524375 3 17832141993589766182 21634736 98 18336558161263488262 23184049 29 18339079281090402680 2334 1 18195247706748230078 23402539 116 18124593339045837620 23419403 2 16756270690038177561 23526113 38 17969762237984258127 23557571 272 17916855812334505042 23558518 356 18334582317319685473 23559900 14 18339908351797716896 23598288 3 18059857221191014093 23598291 2 18121522175177567332 2748010 2 17908144282786224783 34934 24 18059580251719490401 81228 2 18123184602420216363 > <PUBCHEM_SHAPE_MULTIPOLES> 399.23 6.57 4.06 1.66 1.65 0.58 -0.14 2.09 0.41 -1.58 -0.44 0.37 -0.49 -0.7 > <PUBCHEM_SHAPE_SELFOVERLAP> 682.159 > <PUBCHEM_SHAPE_VOLUME> 267.1 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM043690: 1,1,3,3,5,5,7,7,7-Nonamethyltetrasiloxan-1-ol
