18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid

C43H79N5O12 — CID 139387525

About 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid

18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid (PubChem CID 139387525) has the molecular formula C43H79N5O12 and a molecular weight of 858.13 g/mol. Its IUPAC name is 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid.

Molecular Properties

• Compound Name: 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid
• PubChem CID: 139387525
• Molecular Formula: C43H79N5O12
• Molecular Weight: 858.13 g/mol
• Exact Mass: 857.57
• IUPAC Name: 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid
• SMILES: CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O
• InChI: InChI=1S/C43H79N5O12/c1-37(49)35-59-33-31-58-30-28-48-42(54)36-60-34-32-57-29-27-47-41(53)22-18-26-46-40(52)21-17-25-45-39(51)20-16-24-44-38(50)19-14-12-10-8-6-4-2-3-5-7-9-11-13-15-23-43(55)56/h2-36H2,1H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,55,56)
• InChIKey: AGFUBLXEZHQEIJ-UHFFFAOYSA-N
• XLogP: 3.89
• TPSA: 236.79 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 11
• Rotatable Bonds: 45
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	858.13
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid?

The IUPAC name of 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid (CID 139387525) is 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid.

What is the SMILES notation for 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid?

The canonical SMILES for 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid is CC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCNC(=O)CCCNC(=O)CCCNC(=O)CCCCCCCCCCCCCCCCC(=O)O.

What is the InChIKey of 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid?

The InChIKey is AGFUBLXEZHQEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H79N5O12/c1-37(49)35-59-33-31-58-30-28-48-42(54)36-60-34-32-57-29-27-47-41(53)22-18-26-46-40(52)21-17-25-45-39(51)20-16-24-44-38(50)19-14-12-10-8-6-4-2-3-5-7-9-11-13-15-23-43(55)56/h2-36H2,1H3,(H,44,50)(H,45,51)(H,46,52)(H,47,53)(H,48,54)(H,55,56).

What are the key properties of 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid?

18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid has a molecular weight of 858.13 g/mol, XLogP of 3.89, 45 rotatable bonds, 6 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 18-oxo-18-[[4-oxo-4-[[4-oxo-4-[[4-oxo-4-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]butyl]amino]butyl]amino]butyl]amino]octadecanoic acid is sourced from PubChem (CID 139387525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).