6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid

C34H66N2O15 — CID 157320603

About 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid

6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid (PubChem CID 157320603) has the molecular formula C34H66N2O15 and a molecular weight of 742.90 g/mol. Its IUPAC name is 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid.

Molecular Properties

• Compound Name: 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid
• PubChem CID: 157320603
• Molecular Formula: C34H66N2O15
• Molecular Weight: 742.90 g/mol
• Exact Mass: 742.45
• IUPAC Name: 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid
• SMILES: CCCCNCCOCCOCCOCCOCCOCCNC(=O)COCCOCCOCCOCCOCCOCCCC(=O)CC(=O)O
• InChI: InChI=1S/C34H66N2O15/c1-2-3-6-35-7-10-42-13-16-45-19-22-48-23-20-46-17-14-43-11-8-36-33(38)31-51-29-28-50-27-26-49-25-24-47-21-18-44-15-12-41-9-4-5-32(37)30-34(39)40/h35H,2-31H2,1H3,(H,36,38)(H,39,40)
• InChIKey: NXNGPZRYKWBFCI-UHFFFAOYSA-N
• XLogP: 0.50
• TPSA: 197.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 15
• Rotatable Bonds: 44
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	742.90
LogP ≤ 5	0.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid?

The IUPAC name of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid (CID 157320603) is 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid.

What is the SMILES notation for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid?

The canonical SMILES for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid is CCCCNCCOCCOCCOCCOCCOCCNC(=O)COCCOCCOCCOCCOCCOCCCC(=O)CC(=O)O.

What is the InChIKey of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid?

The InChIKey is NXNGPZRYKWBFCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H66N2O15/c1-2-3-6-35-7-10-42-13-16-45-19-22-48-23-20-46-17-14-43-11-8-36-33(38)31-51-29-28-50-27-26-49-25-24-47-21-18-44-15-12-41-9-4-5-32(37)30-34(39)40/h35H,2-31H2,1H3,(H,36,38)(H,39,40).

What are the key properties of 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid?

6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid has a molecular weight of 742.90 g/mol, XLogP of 0.50, 44 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-3-oxohexanoic acid is sourced from PubChem (CID 157320603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).