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Showing structure for CHEM044122: Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-
67934 -OEChem-10101915303D 64 64 0 0 0 0 0 0 0999 V2000 1.0748 -1.3335 -0.6726 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2540 1.6525 -1.7108 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.9860 -0.9093 0.0194 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.7955 2.0903 -0.9773 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.6422 -3.5635 3.3377 F 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.3875 3.1648 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8295 -2.6413 1.7581 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4688 1.9256 -1.0964 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2375 1.9139 0.7083 F 0 0 0 0 0 0 0 0 0 0 0 0 5.2899 3.6819 -0.5669 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.0975 -6.0410 -0.2597 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.6847 -4.9928 -2.1316 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.5575 -4.6395 -1.0717 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.9128 3.8446 1.7827 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1758 5.1589 1.6125 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.0817 3.3816 2.8726 F 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 -0.0234 -1.7043 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3417 -1.1724 0.2084 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1251 2.2230 -0.9484 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2262 0.4726 -0.8978 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5426 -1.4306 0.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7815 2.2958 -0.8208 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7897 -2.3821 -0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5301 3.0344 0.4747 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0447 -2.9272 -1.6725 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3276 2.2783 -3.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7956 -0.7220 1.7072 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4841 2.8526 -2.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 -2.5626 1.5304 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1208 1.8028 -1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5977 -3.7301 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0603 3.0513 0.5394 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6799 -2.5380 2.4608 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 2.3307 -0.5744 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2353 -4.8639 -0.9058 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5652 3.8700 1.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6167 -0.4719 1.0270 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4541 -1.5310 -0.1004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7010 2.0121 0.2352 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7565 3.3916 -0.8523 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3869 -2.4433 -1.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8616 -2.1736 -0.9317 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1607 4.0656 0.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1298 2.6062 1.4010 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8981 -3.7928 -1.0203 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9870 -3.0579 -2.2126 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2309 -2.9065 -2.4031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2263 1.9108 -3.9869 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3422 3.3718 -3.5046 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4568 1.9342 -4.0486 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6371 -1.6179 2.3144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8725 -0.5623 1.6015 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3721 0.1316 2.2441 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0669 2.3554 -3.4339 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5724 2.7509 -2.5913 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2336 3.9160 -2.6076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5695 -2.4865 2.1291 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4526 -3.5343 1.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1572 0.7072 -1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2368 2.1204 -2.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5311 -3.9473 -0.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0376 -3.6993 0.8736 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4789 3.4694 -0.3835 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4459 2.0285 0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 1 21 1 0 0 0 0 1 25 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 2 26 1 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 3 23 1 0 0 0 0 3 27 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 4 24 1 0 0 0 0 4 28 1 0 0 0 0 5 33 1 0 0 0 0 6 33 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 9 34 1 0 0 0 0 10 34 1 0 0 0 0 11 35 1 0 0 0 0 12 35 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 15 36 1 0 0 0 0 16 36 1 0 0 0 0 21 29 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 30 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 31 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 24 32 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 25 47 1 0 0 0 0 26 48 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 33 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 30 34 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 31 35 1 0 0 0 0 31 61 1 0 0 0 0 31 62 1 0 0 0 0 32 36 1 0 0 0 0 32 63 1 0 0 0 0 32 64 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 67934 > <PUBCHEM_CONFORMER_RMSD> 1.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 19 5 29 39 13 24 17 25 54 16 9 49 11 57 43 10 48 8 32 31 4 58 6 33 42 34 2 21 40 26 50 51 28 14 15 45 20 38 22 30 52 27 53 37 3 23 47 12 55 7 36 35 18 46 41 44 56 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 32 1 0.76 10 -0.34 11 -0.34 12 -0.34 13 -0.34 14 -0.34 15 -0.34 16 -0.34 17 -0.59 18 -0.59 19 -0.59 2 0.76 20 -0.59 21 -0.08 22 -0.08 23 -0.08 24 -0.08 25 -0.08 26 -0.08 27 -0.08 28 -0.08 3 0.76 33 1.02 34 1.02 35 1.02 36 1.02 4 0.76 5 -0.34 6 -0.34 7 -0.34 8 -0.34 9 -0.34 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 13.6 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 36 > <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> 0001095E00000001 > <PUBCHEM_MMFF94_ENERGY> 20.3383 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 10930396 42 17254807177151392048 12422481 6 17968670315005343300 12608794 3 18047453544355054749 12633257 1 18121768440244480992 12788726 201 18201151135850460701 14068700 675 17974563907677749172 14784336 7 17831573546193886634 15420108 30 18410583872408805492 15664445 248 8139218899023985743 19319366 153 16736971005564866518 20028762 73 17902225951835158446 21033648 29 17984977094494322227 24180151 40 18263913505304354578 283562 15 18118964943202207764 5171179 24 15529362764652125007 9896288 288 18271251624570549388 > <PUBCHEM_SHAPE_MULTIPOLES> 702.95 10.96 8.45 3.01 6.87 7.44 -1.2 -7.87 -6.16 -9.04 0.07 0.53 -0.13 -8.29 > <PUBCHEM_SHAPE_SELFOVERLAP> 1343.754 > <PUBCHEM_SHAPE_VOLUME> 432.8 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM044122: Cyclotetrasiloxane, 2,4,6,8-tetramethyl-2,4,6,8-tetrakis(3,3,3-trifluoropropyl)-
