lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate

C22H42LiO16P — CID 101192936

About lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate

lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate (PubChem CID 101192936) has the molecular formula C22H42LiO16P and a molecular weight of 600.48 g/mol. Its IUPAC name is lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate.

Molecular Properties

• Compound Name: lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate
• PubChem CID: 101192936
• Molecular Formula: C22H42LiO16P
• Molecular Weight: 600.48 g/mol
• Exact Mass: 600.24
• IUPAC Name: lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate
• SMILES: COCCOCCOCCOCC(=O)OCC(COP(=O)([O-])OC)OC(=O)COCCOCCOCCOC.[Li+]
• InChI: InChI=1S/C22H43O16P.Li/c1-27-4-6-30-8-10-32-12-14-34-18-21(23)36-16-20(17-37-39(25,26)29-3)38-22(24)19-35-15-13-33-11-9-31-7-5-28-2;/h20H,4-19H2,1-3H3,(H,25,26);/q;+1/p-1
• InChIKey: DXGZHGJJXHDFIC-UHFFFAOYSA-M
• XLogP: -4.03
• TPSA: 185.03 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 29
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.48
LogP ≤ 5	-4.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate?

The IUPAC name of lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate (CID 101192936) is lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate.

What is the SMILES notation for lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate?

The canonical SMILES for lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate is COCCOCCOCCOCC(=O)OCC(COP(=O)([O-])OC)OC(=O)COCCOCCOCCOC.[Li+].

What is the InChIKey of lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate?

The InChIKey is DXGZHGJJXHDFIC-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H43O16P.Li/c1-27-4-6-30-8-10-32-12-14-34-18-21(23)36-16-20(17-37-39(25,26)29-3)38-22(24)19-35-15-13-33-11-9-31-7-5-28-2;/h20H,4-19H2,1-3H3,(H,25,26);/q;+1/p-1.

What are the key properties of lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate?

lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate has a molecular weight of 600.48 g/mol, XLogP of -4.03, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for lithium 2,3-bis[[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]acetyl]oxy]propyl methyl phosphate is sourced from PubChem (CID 101192936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).