lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)

C12H28LiO6+ — CID 5257331

About lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)

lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane) (PubChem CID 5257331) has the molecular formula C12H28LiO6+ and a molecular weight of 275.29 g/mol. Its IUPAC name is lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane).

Molecular Properties

• Compound Name: lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
• PubChem CID: 5257331
• Molecular Formula: C12H28LiO6+
• Molecular Weight: 275.29 g/mol
• Exact Mass: 275.20
• IUPAC Name: lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
• SMILES: COCCOCCOC.COCCOCCOC.[Li+]
• InChI: InChI=1S/2C6H14O3.Li/c2*1-7-3-5-9-6-4-8-2;/h2*3-6H2,1-2H3;/q;;+1
• InChIKey: XTQLWLCLEYMKIK-UHFFFAOYSA-N
• XLogP: -2.40
• TPSA: 55.38 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.29
LogP ≤ 5	-2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)?

The IUPAC name of lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane) (CID 5257331) is lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane).

What is the SMILES notation for lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)?

The canonical SMILES for lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane) is COCCOCCOC.COCCOCCOC.[Li+].

What is the InChIKey of lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)?

The InChIKey is XTQLWLCLEYMKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H14O3.Li/c2*1-7-3-5-9-6-4-8-2;/h2*3-6H2,1-2H3;/q;;+1.

What are the key properties of lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)?

lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane) has a molecular weight of 275.29 g/mol, XLogP of -2.40, 12 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane) is sourced from PubChem (CID 5257331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).