Chemical : 2,2'-[(1,10-Dioxodecane-1,10-diyl)bis(oxy)]bis{N,N-dimethyl-N-[(triethylsilyl)methyl]ethan-1-aminium} diiodide
Casrn : 95521-17-8 |
MolName : 2,2'-[(1,10-Dioxodecane-1,10-diyl)bis(oxy)]bis{N,N-dimethyl-N-[(triethylsilyl)methyl]ethan-1-aminium} diiodide |
MolecularFormula : I.I.C32H70N2O4Si2 |
Smiles : CC[Si](CC)(CC)C[N+](C)(C)CCOC(CCCCCCCCC(OCC[N+](C)(C)C[Si](CC)(CC)CC)=O)=O.[I-].[I-] |
InChI : InChI=1S/C32H70N2O4Si2.2HI/c1-11-39(12-2,13-3)29-33(7,8)25-27-37-31(35)23-21-19-17-18-20-22-24-32(36)38-28-26-34(9,10)30-40(14-4,15-5)16-6;;/h11-30H2,1-10H3;2*1H/q+2;;/p-2 |
InChIK : MLAGLXAYCGPISI-UHFFFAOYSA-L |
CanonicalSyTyLFy : b44052c62b2e228c |
TotalMolweight : 856.89 |
Molweight : 603.09 |
MonoisotopicMass : 602.487412 |
CLogP : 2.6912 |
CLogS : -17.182 |
H Acceptors : 6 |
TotalSurfaceArea : 505.56 |
Relative PSA : 0.061002 |
PolarSurfaceArea : 52.6 |
Druglikeness : -40.714 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : high |
Nasty Functions : quart. ammonium |
Shape Index : 0.65 |
Molecula Flexibility : 0.7191 |
Molecular Complexity : 0.62778 |
Fragments : 3 |
Non HAtoms : 40 |
NonCHAtoms : 8 |
Electronegative Atoms : 6 |
Rotatable Bond : 27 |
Sp3Atoms : 34 |
Symmetricatoms : 25 |
Amines : 2 |
AlkylAmines : 2 |
StereoCon : |
| CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
|---|---|---|---|---|---|---|
| 10003-69-7 | none | none | none | C10H14O8S4 | 390.477 | 0.2775 |
| 1000-91-5 | none | none | high | C5H14OSi | 118.251 | -35.679 |
| 1000018-56-3 | none | none | none | C7H4N3O2Br | 242.032 | -0.39052 |
| 100008-36-4 | none | none | none | C17H22O2 | 258.36 | -5.6379 |
| 100003-81-4 | high | high | none | C8H7N2OClS | 214.676 | 1.4208 |
| 1000-87-9 | none | none | none | C7H12 | 96.1723 | -2.6557 |
| 100012-49-5 | none | none | none | C10H2O4Br4 | 505.738 | -8.4981 |
| 100031-92-3 | none | none | high | C10H30OSi4 | 278.691 | -53.619 |
| 100007-57-6 | none | none | none | C72H113N19O24S6 | 1821.19 | -13.821 |
| 100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
| 100031-98-9 | none | none | high | C12H29O4F3Si4 | 406.696 | -100.78 |
| 1000-68-6 | none | none | none | C3H9NO3S2 | 171.24 | -3.0843 |
| 100017-22-9 | high | high | high | C5H8O2 | 100.117 | -8.1063 |
| 100-04-9 | none | high | none | Cl.C8H10N3 | 148.188 | -2.0275 |
| 1000-58-4 | high | high | high | C4H8Cl4Si | 226.006 | -54.611 |
| 100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
| 1000269-71-5 | none | none | high | C12H18N2O2 | 222.287 | -10.925 |
| 100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
| 100-29-8 | none | none | none | C8H9NO3 | 167.163 | -8.928 |
| 1000198-76-4 | none | none | none | C11H12NF3 | 215.217 | -5.8988 |
| 100-94-7 | none | none | none | Cl.C16H20N | 226.342 | -1.9788 |
| 1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
| 100033-59-8 | none | none | none | C8H16N2 | 140.229 | 0.9406 |
| 100-87-8 | none | none | none | C7H8O3S | 172.204 | -10.732 |
| 1000-50-6 | none | none | high | C6H15ClSi | 150.724 | -84.768 |
| 100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
| 1000269-67-9 | none | none | none | C13H22N4 | 234.346 | 0.99367 |
| 100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
| 1000-30-2 | none | none | high | C9H16O | 140.225 | -7.4662 |
| 1000058-38-7 | none | none | none | C11H12N2O2 | 204.228 | -4.6529 |
| 10002-30-9 | none | none | none | C12H9NOS | 215.275 | 0.083087 |
| 10002-06-9 | none | none | none | C10H8N3ClS | 237.714 | 2.0874 |
| 100-61-8 | high | none | none | C7H9N | 107.155 | -0.23765 |
| 100-81-2 | none | none | none | C8H11N | 121.182 | -2.1005 |
| 100-18-5 | none | none | none | C12H18 | 162.275 | -2.5088 |
| 100-96-9 | high | none | none | C7H10N2O | 138.169 | -1.7412 |
| 100-93-6 | high | high | high | C19H18N2O2S | 338.43 | -12.848 |
| 100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
| 10003-94-8 | none | none | none | C9H16N2O18P4 | 564.118 | -31.509 |
| 100011-00-5 | none | none | none | C15H24O2 | 236.354 | -18.044 |
| 100-83-4 | high | none | low | C7H6O2 | 122.123 | -4.1407 |
| 1000018-40-5 | low | high | none | C11H16N2O2S | 240.326 | 1.4856 |
| 1000018-06-3 | none | none | none | C8H8N3Br | 226.077 | 0.34749 |
| 100005-01-4 | none | none | high | C8H21BrSSi2 | 285.397 | -52.815 |
| 1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
| 1000339-34-3 | none | none | none | C11H12N3OBr | 282.14 | -5.9074 |
| 100-47-0 | high | none | high | C7H5N | 103.124 | -6.0498 |
| 100-10-7 | none | high | high | C9H11NO | 149.192 | -1.8715 |
| 100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
| 1000339-13-8 | low | none | low | C7H10NO4ClS | 239.678 | -21.883 |
| 100-63-0 | high | high | none | C6H8N2 | 108.144 | -4.3224 |
| 100004-79-3 | none | none | none | C13H11NO2 | 213.235 | -1.5864 |
| 1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
| 1000284-53-6 | none | none | high | C18H36O2 | 284.482 | -15.583 |
| 100010-00-2 | none | none | none | C20H23NO5 | 357.405 | -3.7157 |
| 100023-32-3 | high | high | none | CH3O4S.C20H19N2O | 303.384 | 0.7545 |
| 1000025-93-3 | none | none | none | C20H17NO4 | 335.358 | -1.6731 |
| 100-65-2 | high | none | none | C6H7NO | 109.128 | -1.548 |
| 10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
| 100-28-7 | high | low | low | C7H4N2O3 | 164.12 | -21.552 |
2 Click to Load Molecule - 2,2'-[(1,10-Dioxodecane-1,10-diyl)bis(oxy)]bis{N,N-dimethyl-N-[(triethylsilyl)methyl]ethan-1-aminium} diiodide
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