2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol

C30H64N2O12 — CID 146492334

About 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol

2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol (PubChem CID 146492334) has the molecular formula C30H64N2O12 and a molecular weight of 644.84 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
• PubChem CID: 146492334
• Molecular Formula: C30H64N2O12
• Molecular Weight: 644.84 g/mol
• Exact Mass: 644.45
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol
• SMILES: CCOCCN(CCOCC)CCOCCOCCOCCOCCN(CCOCCOCCO)CCOCCOCCO
• InChI: InChI=1S/C30H64N2O12/c1-3-35-13-5-31(6-14-36-4-2)7-15-39-23-27-43-29-30-44-28-24-40-18-10-32(8-16-37-21-25-41-19-11-33)9-17-38-22-26-42-20-12-34/h33-34H,3-30H2,1-2H3
• InChIKey: WVWPROLMKJWRRY-UHFFFAOYSA-N
• XLogP: -0.22
• TPSA: 139.24 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 39
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	644.84
LogP ≤ 5	-0.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol (CID 146492334) is 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol is CCOCCN(CCOCC)CCOCCOCCOCCOCCN(CCOCCOCCO)CCOCCOCCO.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?

The InChIKey is WVWPROLMKJWRRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H64N2O12/c1-3-35-13-5-31(6-14-36-4-2)7-15-39-23-27-43-29-30-44-28-24-40-18-10-32(8-16-37-21-25-41-19-11-33)9-17-38-22-26-42-20-12-34/h33-34H,3-30H2,1-2H3.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol?

2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol has a molecular weight of 644.84 g/mol, XLogP of -0.22, 39 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[bis(2-ethoxyethyl)amino]ethoxy]ethoxy]ethoxy]ethoxy]ethyl-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 146492334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).