2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid

C16H37NO11S — CID 131724033

About 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid

2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid (PubChem CID 131724033) has the molecular formula C16H37NO11S and a molecular weight of 451.54 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
• PubChem CID: 131724033
• Molecular Formula: C16H37NO11S
• Molecular Weight: 451.54 g/mol
• Exact Mass: 451.21
• IUPAC Name: 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid
• SMILES: COC(N)COCCOCCOCCOCCOCCOCCO.CS(=O)(=O)O
• InChI: InChI=1S/C15H33NO8.CH4O3S/c1-18-15(16)14-24-13-12-23-11-10-22-9-8-21-7-6-20-5-4-19-3-2-17;1-5(2,3)4/h15,17H,2-14,16H2,1H3;1H3,(H,2,3,4)
• InChIKey: SIKKRODYOTVTDP-UHFFFAOYSA-N
• XLogP: -1.49
• TPSA: 165.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 20
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	451.54
LogP ≤ 5	-1.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid (CID 131724033) is 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid is COC(N)COCCOCCOCCOCCOCCOCCO.CS(=O)(=O)O.

What is the InChIKey of 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid?

The InChIKey is SIKKRODYOTVTDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO8.CH4O3S/c1-18-15(16)14-24-13-12-23-11-10-22-9-8-21-7-6-20-5-4-19-3-2-17;1-5(2,3)4/h15,17H,2-14,16H2,1H3;1H3,(H,2,3,4).

What are the key properties of 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid?

2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid has a molecular weight of 451.54 g/mol, XLogP of -1.49, 20 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-(2-amino-2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;methanesulfonic acid is sourced from PubChem (CID 131724033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).