2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane

C24H51B3O10 — CID 20587065

About 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane

2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane (PubChem CID 20587065) has the molecular formula C24H51B3O10 and a molecular weight of 532.10 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane.

Molecular Properties

• Compound Name: 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane
• PubChem CID: 20587065
• Molecular Formula: C24H51B3O10
• Molecular Weight: 532.10 g/mol
• Exact Mass: 532.38
• IUPAC Name: 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane
• SMILES: CCCCCCCCCCCCCCOB1OB(OCCOC)OB(OCCOCCOCCOC)O1
• InChI: InChI=1S/C24H51B3O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-32-25-35-26(33-23-18-29-3)37-27(36-25)34-24-22-31-21-20-30-19-17-28-2/h4-24H2,1-3H3
• InChIKey: JSTSNYIAALZJSA-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 92.30 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 28
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	532.10
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane?

The IUPAC name of 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane (CID 20587065) is 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane.

What is the SMILES notation for 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane?

The canonical SMILES for 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane is CCCCCCCCCCCCCCOB1OB(OCCOC)OB(OCCOCCOCCOC)O1.

What is the InChIKey of 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane?

The InChIKey is JSTSNYIAALZJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H51B3O10/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-32-25-35-26(33-23-18-29-3)37-27(36-25)34-24-22-31-21-20-30-19-17-28-2/h4-24H2,1-3H3.

What are the key properties of 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane?

2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane has a molecular weight of 532.10 g/mol, XLogP of 4.08, 28 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-methoxyethoxy)-4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-tetradecoxy-1,3,5,2,4,6-trioxatriborinane is sourced from PubChem (CID 20587065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).