About [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide
[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (PubChem CID 153300702) has the molecular formula C19H39F3NO8S2Si5-
and a molecular weight of 671.08 g/mol. Its IUPAC name is [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
Molecular Properties
| Compound Name | [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide |
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| PubChem CID | 153300702 |
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| Molecular Formula | C19H39F3NO8S2Si5- |
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| Molecular Weight | 671.08 g/mol |
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| Exact Mass | 670.09 |
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| IUPAC Name | [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide |
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| SMILES | C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C |
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| InChI | InChI=1S/C19H39F3NO8S2Si5/c1-34(28-37(8,9)30-35(2,3)4)29-38(10,31-36(5,6)7)16-15-17-11-13-18(14-12-17)32(24,25)23-33(26,27)19(20,21)22/h11-14,34H,15-16H2,1-10H3/q-1 |
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| InChIKey | KMPAZCXBRSREPN-UHFFFAOYSA-N |
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| XLogP | 5.50 |
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| TPSA | 119.30 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 14 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 671.08 |
| LogP ≤ 5 | 5.50 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The IUPAC name of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide (CID 153300702) is [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide.
What is the SMILES notation for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The canonical SMILES for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is C[SiH](O[Si](C)(C)O[Si](C)(C)C)O[Si](C)(CCc1ccc(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1)O[Si](C)(C)C.
What is the InChIKey of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
The InChIKey is KMPAZCXBRSREPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H39F3NO8S2Si5/c1-34(28-37(8,9)30-35(2,3)4)29-38(10,31-36(5,6)7)16-15-17-11-13-18(14-12-17)32(24,25)23-33(26,27)19(20,21)22/h11-14,34H,15-16H2,1-10H3/q-1.
What are the key properties of [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide?
[4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide has a molecular weight of 671.08 g/mol, XLogP of 5.50, 14 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[[[dimethyl(trimethylsilyloxy)silyl]oxy-methylsilyl]oxy-methyl-trimethylsilyloxysilyl]ethyl]phenyl]sulfonyl-(trifluoromethylsulfonyl)azanide is sourced from PubChem (CID 153300702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).