1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen

C23H51NO9 — CID 177241724

About 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen

1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen (PubChem CID 177241724) has the molecular formula C23H51NO9 and a molecular weight of 485.66 g/mol. Its IUPAC name is 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen.

Molecular Properties

• Compound Name: 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen
• PubChem CID: 177241724
• Molecular Formula: C23H51NO9
• Molecular Weight: 485.66 g/mol
• Exact Mass: 485.36
• IUPAC Name: 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen
• SMILES: CC.CCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN.[H][H]
• InChI: InChI=1S/C21H43NO9.C2H6.H2/c1-2-21(23)3-5-24-7-9-26-11-13-28-15-17-30-19-20-31-18-16-29-14-12-27-10-8-25-6-4-22;1-2;/h2-20,22H2,1H3;1-2H3;1H
• InChIKey: BBBOMPMHMJAKMZ-UHFFFAOYSA-N
• XLogP: 1.72
• TPSA: 116.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.66
LogP ≤ 5	1.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen?

The IUPAC name of 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen (CID 177241724) is 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen.

What is the SMILES notation for 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen?

The canonical SMILES for 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen is CC.CCC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCN.[H][H].

What is the InChIKey of 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen?

The InChIKey is BBBOMPMHMJAKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H43NO9.C2H6.H2/c1-2-21(23)3-5-24-7-9-26-11-13-28-15-17-30-19-20-31-18-16-29-14-12-27-10-8-25-6-4-22;1-2;/h2-20,22H2,1H3;1-2H3;1H.

What are the key properties of 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen?

1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen has a molecular weight of 485.66 g/mol, XLogP of 1.72, 27 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentan-3-one;ethane;molecular hydrogen is sourced from PubChem (CID 177241724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).