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Showing structure for CHEM010721: Â Hexamethoxydisilylethane
87627 -OEChem-10091910073D 38 37 0 0 0 0 0 0 0999 V2000 -2.3052 0.0074 -0.1361 Si 0 0 0 0 0 0 0 0 0 0 0 0 2.3073 0.0021 0.1420 Si 0 0 0 0 0 0 0 0 0 0 0 0 -3.4092 -0.0204 1.1291 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5980 1.3657 -1.0785 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5308 -1.3702 -1.0706 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5839 1.3564 1.0928 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5578 -1.3733 1.0680 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3919 0.0142 -1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5557 0.0284 0.5334 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5531 0.0360 -0.5296 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7999 -0.0392 0.8415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4818 2.6571 -0.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3678 -2.6519 -0.4797 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4625 2.6502 0.5195 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4048 -2.6550 0.4756 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7869 -0.0075 -0.8702 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4486 0.9075 1.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 -0.8442 1.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4483 0.9239 -1.1655 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4335 -0.8288 -1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1049 0.8607 0.2963 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3427 -0.0586 1.7915 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0766 -0.9357 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7566 3.3956 -1.2583 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4506 2.8594 -0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1624 2.7773 0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0476 -2.7916 0.3679 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3313 -2.8125 -0.1647 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6105 -3.4061 -1.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4311 2.8492 0.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1449 2.7793 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7313 3.3859 1.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6548 -3.4087 1.2286 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0846 -2.7871 -0.3734 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3693 -2.8236 0.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0746 -0.9204 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0958 0.8760 -0.3009 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3167 0.0057 -1.8276 H 0 0 0 0 0 0 0 0 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 1 9 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 2 10 1 0 0 0 0 3 11 1 0 0 0 0 4 12 1 0 0 0 0 5 13 1 0 0 0 0 6 14 1 0 0 0 0 7 15 1 0 0 0 0 8 16 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 21 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 M END > <PUBCHEM_COMPOUND_CID> 87627 > <PUBCHEM_CONFORMER_RMSD> 0.8 > <PUBCHEM_CONFORMER_DIVERSEORDER> 1 14 11 12 16 15 6 19 2 5 18 13 8 3 9 10 7 4 17 > <PUBCHEM_MMFF94_PARTIAL_CHARGES> 16 1 0.97 10 -0.08 11 0.28 12 0.28 13 0.28 14 0.28 15 0.28 16 0.28 2 0.97 3 -0.58 4 -0.58 5 -0.58 6 -0.58 7 -0.58 8 -0.58 9 -0.08 > <PUBCHEM_EFFECTIVE_ROTOR_COUNT> 9 > <PUBCHEM_PHARMACOPHORE_FEATURES> 0 > <PUBCHEM_HEAVY_ATOM_COUNT> 16 > <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> 0001564B00000001 > <PUBCHEM_MMFF94_ENERGY> 23.7926 > <PUBCHEM_FEATURE_SELFOVERLAP> 0 > <PUBCHEM_SHAPE_FINGERPRINT> 10366900 7 18187372051155741945 10922523 26 18115863010272371439 11715629 250 18336819866236742544 12500047 106 18337382747480918508 12553582 1 18410568491893664751 12633257 1 18272650134346314499 12932764 1 18410853265399873536 13296908 3 17822008653624781091 13533116 47 18261673671702469163 15375462 189 18409730638569678354 16945 1 18410845568818479111 17041 50 18202003201227108236 18186145 218 18201715167412979616 200 152 8142078728720358401 2255824 54 18339643446936365184 23557571 272 18268698588361596745 23559900 14 17489597744121685271 23598291 2 18201440341088101221 2871803 45 18267573796445676935 3248919 1 17168133546720054176 45790113 53 18339078173300063835 58051976 100 18342177790910133575 6049 1 18410852165894053188 74978 22 18342167834975234428 > <PUBCHEM_SHAPE_MULTIPOLES> 330.48 8.48 2.75 1.17 0.05 0.01 0 -0.09 -0.02 0 0.01 -0.02 -0.01 0.06 > <PUBCHEM_SHAPE_SELFOVERLAP> 590.168 > <PUBCHEM_SHAPE_VOLUME> 215.5 > <PUBCHEM_COORDINATE_TYPE> 2 5 10 $$$$
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Structure for CHEM010721: Â Hexamethoxydisilylethane