lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate

C11H22F3LiO8S — CID 23717802

IUPAClithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
SMILESCOCCOCCOCCOCCOC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C10H22O5.CHF3O3S.Li/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;2-1(3,4)8(5,6)7;/h3-10H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyIASQOTFRGZTUNO-UHFFFAOYSA-M
MW378.29 g/mol
LogP-2.62
Rot. Bonds12

About lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate

lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate (PubChem CID 23717802) has the molecular formula C11H22F3LiO8S and a molecular weight of 378.29 g/mol. Its IUPAC name is lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate.

Molecular Properties

Compound Namelithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
PubChem CID23717802
Molecular FormulaC11H22F3LiO8S
Molecular Weight378.29 g/mol
Exact Mass378.11
IUPAC Namelithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate
SMILESCOCCOCCOCCOCCOC.O=S(=O)([O-])C(F)(F)F.[Li+]
InChIInChI=1S/C10H22O5.CHF3O3S.Li/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;2-1(3,4)8(5,6)7;/h3-10H2,1-2H3;(H,5,6,7);/q;;+1/p-1
InChIKeyIASQOTFRGZTUNO-UHFFFAOYSA-M
XLogP-2.62
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.29
LogP ≤ 5-2.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10621697
2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10647529
2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10839160
2-[2-[2-[2-[2-[2-(Trifluoromethylsulfonyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl trifluoromethanesulfonate
CID 10816385
2-Ethoxyethyl triflate
CID 16050164
2-Methanesulfonyloxyethyl 2,2,2-trifluorethyl ether
CID 18673718
2-(2-Butoxyethoxy)ethoxy trifluoromethanesulfonate
CID 18995421
2-[2-(Difluoromethoxy)ethoxy]ethyl methanesulfonate
CID 19828982
2-(2-(2-(Pentafluoroethoxy)tetrafluoroethoxy)-2,2-difluoroethoxy)ethyl methane sulfonate
CID 21225292
[1,2,2-Trifluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 57024501
[1,1,2,2-Tetrafluoro-2-[2-(2-methoxyethoxy)ethoxy]ethyl] trifluoromethanesulfonate
CID 88160590
[1,1,2,2-Tetrafluoro-2-[2-(2-methoxyethoxy)ethoxy]ethoxy] trifluoromethanesulfonate
CID 88320338

Frequently Asked Questions

What is the IUPAC name of lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate?
The IUPAC name of lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate (CID 23717802) is lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate.
What is the SMILES notation for lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate?
The canonical SMILES for lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate is COCCOCCOCCOCCOC.O=S(=O)([O-])C(F)(F)F.[Li+].
What is the InChIKey of lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate?
The InChIKey is IASQOTFRGZTUNO-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H22O5.CHF3O3S.Li/c1-11-3-5-13-7-9-15-10-8-14-6-4-12-2;2-1(3,4)8(5,6)7;/h3-10H2,1-2H3;(H,5,6,7);/q;;+1/p-1.
What are the key properties of lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate?
lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate has a molecular weight of 378.29 g/mol, XLogP of -2.62, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane;trifluoromethanesulfonate is sourced from PubChem (CID 23717802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).