bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)

C10H22F6O10S2Sm — CID 11017619

IUPACbis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)
SMILESCOCCOC.COCCOC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sm]
InChIInChI=1S/2C4H10O2.2CHF3O3S.Sm/c2*1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h2*3-4H2,1-2H3;2*(H,5,6,7);
InChIKeyAFPILEUXDLRZRD-UHFFFAOYSA-N
MW630.76 g/mol
LogP1.35
Rot. Bonds6

About bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)

bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid) (PubChem CID 11017619) has the molecular formula C10H22F6O10S2Sm and a molecular weight of 630.76 g/mol. Its IUPAC name is bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid).

Molecular Properties

Compound Namebis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)
PubChem CID11017619
Molecular FormulaC10H22F6O10S2Sm
Molecular Weight630.76 g/mol
Exact Mass631.98
IUPAC Namebis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)
SMILESCOCCOC.COCCOC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sm]
InChIInChI=1S/2C4H10O2.2CHF3O3S.Sm/c2*1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h2*3-4H2,1-2H3;2*(H,5,6,7);
InChIKeyAFPILEUXDLRZRD-UHFFFAOYSA-N
XLogP1.35
TPSA145.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500630.76
LogP ≤ 51.35
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)?
The IUPAC name of bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid) (CID 11017619) is bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid).
What is the SMILES notation for bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)?
The canonical SMILES for bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid) is COCCOC.COCCOC.O=S(=O)(O)C(F)(F)F.O=S(=O)(O)C(F)(F)F.[Sm].
What is the InChIKey of bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)?
The InChIKey is AFPILEUXDLRZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10O2.2CHF3O3S.Sm/c2*1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h2*3-4H2,1-2H3;2*(H,5,6,7);.
What are the key properties of bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid)?
bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid) has a molecular weight of 630.76 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,2-dimethoxyethane);samarium;bis(trifluoromethanesulfonic acid) is sourced from PubChem (CID 11017619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).