methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride

C12H26ClNO6 — CID 172915982

About methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride

methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride (PubChem CID 172915982) has the molecular formula C12H26ClNO6 and a molecular weight of 315.79 g/mol. Its IUPAC name is methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride.

Molecular Properties

• Compound Name: methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
• PubChem CID: 172915982
• Molecular Formula: C12H26ClNO6
• Molecular Weight: 315.79 g/mol
• Exact Mass: 315.14
• IUPAC Name: methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride
• SMILES: COC(=O)CCOCCOCCOCCOCCN.Cl
• InChI: InChI=1S/C12H25NO6.ClH/c1-15-12(14)2-4-16-6-8-18-10-11-19-9-7-17-5-3-13;/h2-11,13H2,1H3;1H
• InChIKey: SGUQNSPHJHNUTJ-UHFFFAOYSA-N
• XLogP: -0.00
• TPSA: 89.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 14
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	315.79
LogP ≤ 5	-0.00
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride?

The IUPAC name of methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride (CID 172915982) is methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride.

What is the SMILES notation for methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride?

The canonical SMILES for methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride is COC(=O)CCOCCOCCOCCOCCN.Cl.

What is the InChIKey of methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride?

The InChIKey is SGUQNSPHJHNUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO6.ClH/c1-15-12(14)2-4-16-6-8-18-10-11-19-9-7-17-5-3-13;/h2-11,13H2,1H3;1H.

What are the key properties of methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride?

methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride has a molecular weight of 315.79 g/mol, XLogP of -0.00, 14 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 3-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]propanoate;hydrochloride is sourced from PubChem (CID 172915982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).