1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)

C6H10F6MoO8S2-2 — CID 158091303

IUPAC1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)
SMILESCOCCOC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo]
InChIInChI=1S/C4H10O2.2CHF3O3S.Mo/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;2*(H,5,6,7);/p-2
InChIKeyXDRKJMCHACQKPX-UHFFFAOYSA-L
MW484.20 g/mol
LogP0.38
Rot. Bonds3

About 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)

1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate) (PubChem CID 158091303) has the molecular formula C6H10F6MoO8S2-2 and a molecular weight of 484.20 g/mol. Its IUPAC name is 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate).

Molecular Properties

Compound Name1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)
PubChem CID158091303
Molecular FormulaC6H10F6MoO8S2-2
Molecular Weight484.20 g/mol
Exact Mass485.88
IUPAC Name1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)
SMILESCOCCOC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo]
InChIInChI=1S/C4H10O2.2CHF3O3S.Mo/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;2*(H,5,6,7);/p-2
InChIKeyXDRKJMCHACQKPX-UHFFFAOYSA-L
XLogP0.38
TPSA132.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.20
LogP ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)?
The IUPAC name of 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate) (CID 158091303) is 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate).
What is the SMILES notation for 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)?
The canonical SMILES for 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate) is COCCOC.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])C(F)(F)F.[Mo].
What is the InChIKey of 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)?
The InChIKey is XDRKJMCHACQKPX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H10O2.2CHF3O3S.Mo/c1-5-3-4-6-2;2*2-1(3,4)8(5,6)7;/h3-4H2,1-2H3;2*(H,5,6,7);/p-2.
What are the key properties of 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate)?
1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate) has a molecular weight of 484.20 g/mol, XLogP of 0.38, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethane;molybdenum;bis(trifluoromethanesulfonate) is sourced from PubChem (CID 158091303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).