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Showing structure for CHEM043692: 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane-1,11-diol
15635648 -OEChem-10101915133D 63 62 0 0 0 0 0 0 0999 V2000 -0.5301 0.2035 2.2693 Si 0 0 0 0 0 0 0 0 0 0 0 0 1.2408 2.3468 0.7666 Si 0 0 0 0 0 0 0 0 0 0 0 0 -1.9996 -1.7586 0.2522 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.0662 0.7017 -1.8187 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.9019 0.3160 -1.2055 Si 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -1.7490 -0.1004 Si 0 0 0 0 0 0 0 0 0 0 0 0 0.7721 1.1879 1.8840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8380 -0.7915 0.9633 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2074 1.6796 -0.7672 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3213 -0.7930 -0.0968 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -0.8382 -1.1753 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4749 -0.4981 -2.5499 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4715 -0.8216 1.2446 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0367 1.2477 2.6842 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1092 -0.8269 3.7854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0737 3.8226 0.8369 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9639 2.9748 1.1827 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4959 -3.1419 1.4250 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3264 -2.5468 -1.3171 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1485 0.6103 -3.4623 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7570 1.4492 -2.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5450 1.5170 -1.7062 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2875 1.3227 -0.4281 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6987 -2.3375 -0.9196 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1483 -3.2770 0.4223 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8133 1.9321 3.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8751 0.6125 2.9850 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3510 1.8412 1.8216 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9481 -1.4741 4.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1186 -0.1808 4.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7627 -1.4576 3.5883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9467 3.5290 0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0643 4.2552 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3944 4.5956 0.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6837 2.1517 1.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2960 3.7083 0.4422 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9689 3.4532 2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6282 -3.7560 1.6838 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2488 -3.7862 0.9620 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9156 -2.7322 2.3484 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1088 -3.1186 -1.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5030 -3.2270 -1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9575 -1.7823 -2.0062 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1830 0.1136 -3.3374 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0436 -4.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9742 1.6138 -3.8610 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3572 1.5044 -1.2569 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3000 0.8414 -2.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6525 2.4603 -2.5738 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1729 2.0589 -0.8341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9240 2.2462 -2.4281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7098 0.9834 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6788 2.0539 -1.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9239 1.8601 0.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 0.6696 -0.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4741 -2.9428 -1.8026 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2874 -2.9444 -0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3082 -1.4848 -1.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7519 -3.8992 1.0896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8732 -3.8764 -0.4501 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2357 -2.9958 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8476 0.0313 -3.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9898 -1.2355 1.9551 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 7 1 0 0 0 0 2 9 1 0 0 0 0 2 16 1 0 0 0 0 2 17 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 12 62 1 0 0 0 0 13 63 1 0 0 0 0 14 26 1 0 0 0 0 14 27 1 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 1 0 0 0 0 22 50 1 0 0 0 0 22 51 1 0 0 0 0 22 52 1 0 0 0 0 23 53 1 0 0 0 0 23 54 1 0 0 0 0 23 55 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 24 58 1 0 0 0 0 25 59 1 0 0 0 0 25 60 1 0 0 0 0 25 61 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 15635648 > <PUBCHEM_CONFORMER_RMSD> 1.4 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 60 39 19 44 67 66 37 63 53 54 33 65 46 6 21 84 25 61 55 3 68 9 58 75 80 52 34 78 70 24 62 22 5 43 23 11 57 2 74 36 48 51 86 42 79 59 10 47 32 49 73 35 17 28 4 76 40 8 31 38 16 83 81 41 29 27 85 69 26 18 88 20 30 87 72 71 64 45 15 56 13 12 82 77 7 50 14 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 27 1 0.76 10 -0.59 11 -0.59 12 -0.7 13 -0.7 14 -0.08 15 -0.08 16 -0.08 17 -0.08 18 -0.08 19 -0.08 2 0.76 20 -0.08 21 -0.08 22 -0.08 23 -0.08 24 -0.08 25 -0.08 3 0.76 4 0.76 5 0.76 6 0.76 62 0.4 63 0.4 7 -0.59 8 -0.59 9 -0.59 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 10 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 25 > <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> 00EE94C000000001 > <PUBCHEM_MMFF94_ENERGY> -8.5484 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 11578080 2 18265906919611679821 12156800 1 17544721596403087432 12166972 35 17989197140502065143 12788726 201 17982453698354845452 14068700 675 17560228116686131734 14251757 17 18189037729493623596 14713325 29 16302078066353768988 17980427 23 17417816102185978712 192875 21 17988928833804997087 20600515 1 17561366171144602994 20626108 58 17703490156610281549 229495 10 17391680817814633979 23557571 272 17681257078225121859 23559900 14 18187082875387150324 2637199 183 15647060339123934557 3380486 77 17846218821568638911 35225 105 15685292875246148402 394222 165 17487883717458907780 445580 13 16773216492495270608 513532 50 17680669780007148007 5845 1 16271936969127762555 7399639 24 17616536598119538603 > <PUBCHEM_SHAPE_MULTIPOLES> 582.68 7.78 4.01 3.49 3.23 0.05 -0.64 -1.35 4.55 -1.92 -1.13 0.56 0.66 0.41 > <PUBCHEM_SHAPE_SELFOVERLAP> 1008.187 > <PUBCHEM_SHAPE_VOLUME> 385.3 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM043692: 1,1,3,3,5,5,7,7,9,9,11,11-Dodecamethylhexasiloxane-1,11-diol
