About methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride
methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride (PubChem CID 173293504) has the molecular formula C18H37ClF6O13S2
and a molecular weight of 675.06 g/mol. Its IUPAC name is methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride.
Molecular Properties
| Compound Name | methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride |
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| PubChem CID | 173293504 |
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| Molecular Formula | C18H37ClF6O13S2 |
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| Molecular Weight | 675.06 g/mol |
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| Exact Mass | 674.13 |
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| IUPAC Name | methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride |
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| SMILES | COC.COCCOCCOCCOC.Cl.O=S(=O)(OCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F |
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| InChI | InChI=1S/C8H12F6O8S2.C8H18O4.C2H6O.ClH/c9-7(10,11)23(15,16)21-5-3-19-1-2-20-4-6-22-24(17,18)8(12,13)14;1-9-3-5-11-7-8-12-6-4-10-2;1-3-2;/h1-6H2;3-8H2,1-2H3;1-2H3;1H |
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| InChIKey | WRVMFAGLEMWHOZ-UHFFFAOYSA-N |
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| XLogP | 1.75 |
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| TPSA | 151.35 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 13 |
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| Rotatable Bonds | 20 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 675.06 |
| LogP ≤ 5 | 1.75 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride?
The IUPAC name of methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride (CID 173293504) is methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride.
What is the SMILES notation for methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride?
The canonical SMILES for methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride is COC.COCCOCCOCCOC.Cl.O=S(=O)(OCCOCCOCCOS(=O)(=O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride?
The InChIKey is WRVMFAGLEMWHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O8S2.C8H18O4.C2H6O.ClH/c9-7(10,11)23(15,16)21-5-3-19-1-2-20-4-6-22-24(17,18)8(12,13)14;1-9-3-5-11-7-8-12-6-4-10-2;1-3-2;/h1-6H2;3-8H2,1-2H3;1-2H3;1H.
What are the key properties of methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride?
methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride has a molecular weight of 675.06 g/mol, XLogP of 1.75, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;2-[2-[2-(trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate;hydrochloride is sourced from PubChem (CID 173293504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).