2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate

C116H228N28O52 — CID 159227785

About 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate

2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate (PubChem CID 159227785) has the molecular formula C116H228N28O52 and a molecular weight of 2847.24 g/mol. Its IUPAC name is 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate.

Molecular Properties

• Compound Name: 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate
• PubChem CID: 159227785
• Molecular Formula: C116H228N28O52
• Molecular Weight: 2847.24 g/mol
• Exact Mass: 2845.61
• IUPAC Name: 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate
• SMILES: CC(C)(C)OC(=O)COC(COCCOCCN)COCCOCCN.CC(C)(C)OC(=O)COC(COCCOCCNC(=O)COC(COCCOCCN)COCCOCCN)COCCOCCNC(=O)COC(COCCOCCN)COCCOCCN.CC(C)(C)OC(=O)COC(COCCOCCNC(=O)COC(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-])COCCOCCNC(=O)COC(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCC(COCCOCCN=[N+]=[N-])OCC(=O)O
• InChI: InChI=1S/C43H80N14O19.C43H88N6O19.C17H36N2O7.C13H24N6O7/c1-43(2,3)76-42(60)36-75-39(32-71-22-16-61-10-4-48-40(58)34-73-37(28-67-24-18-63-12-6-50-54-44)29-68-25-19-64-13-7-51-55-45)33-72-23-17-62-11-5-49-41(59)35-74-38(30-69-26-20-65-14-8-52-56-46)31-70-27-21-66-15-9-53-57-47;1-43(2,3)68-42(52)36-67-39(32-63-26-20-57-14-8-48-40(50)34-65-37(28-59-22-16-53-10-4-44)29-60-23-17-54-11-5-45)33-64-27-21-58-15-9-49-41(51)35-66-38(30-61-24-18-55-12-6-46)31-62-25-19-56-13-7-47;1-17(2,3)26-16(20)14-25-15(12-23-10-8-21-6-4-18)13-24-11-9-22-7-5-19;14-18-16-1-3-22-5-7-24-9-12(26-11-13(20)21)10-25-8-6-23-4-2-17-19-15/h37-39H,4-36H2,1-3H3,(H,48,58)(H,49,59);37-39H,4-36,44-47H2,1-3H3,(H,48,50)(H,49,51);15H,4-14,18-19H2,1-3H3;12H,1-11H2,(H,20,21)
• InChIKey: KSMWVJHYECVOEQ-UHFFFAOYSA-N
• XLogP: -0.25
• TPSA: 1050.48 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 63
• Rotatable Bonds: 146
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2847.24
LogP ≤ 5	-0.25
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	63

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate?

The IUPAC name of 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate (CID 159227785) is 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate.

What is the SMILES notation for 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate?

The canonical SMILES for 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate is CC(C)(C)OC(=O)COC(COCCOCCN)COCCOCCN.CC(C)(C)OC(=O)COC(COCCOCCNC(=O)COC(COCCOCCN)COCCOCCN)COCCOCCNC(=O)COC(COCCOCCN)COCCOCCN.CC(C)(C)OC(=O)COC(COCCOCCNC(=O)COC(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-])COCCOCCNC(=O)COC(COCCOCCN=[N+]=[N-])COCCOCCN=[N+]=[N-].[N-]=[N+]=NCCOCCOCC(COCCOCCN=[N+]=[N-])OCC(=O)O.

What is the InChIKey of 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate?

The InChIKey is KSMWVJHYECVOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H80N14O19.C43H88N6O19.C17H36N2O7.C13H24N6O7/c1-43(2,3)76-42(60)36-75-39(32-71-22-16-61-10-4-48-40(58)34-73-37(28-67-24-18-63-12-6-50-54-44)29-68-25-19-64-13-7-51-55-45)33-72-23-17-62-11-5-49-41(59)35-74-38(30-69-26-20-65-14-8-52-56-46)31-70-27-21-66-15-9-53-57-47;1-43(2,3)68-42(52)36-67-39(32-63-26-20-57-14-8-48-40(50)34-65-37(28-59-22-16-53-10-4-44)29-60-23-17-54-11-5-45)33-64-27-21-58-15-9-49-41(51)35-66-38(30-61-24-18-55-12-6-46)31-62-25-19-56-13-7-47;1-17(2,3)26-16(20)14-25-15(12-23-10-8-21-6-4-18)13-24-11-9-22-7-5-19;14-18-16-1-3-22-5-7-24-9-12(26-11-13(20)21)10-25-8-6-23-4-2-17-19-15/h37-39H,4-36H2,1-3H3,(H,48,58)(H,49,59);37-39H,4-36,44-47H2,1-3H3,(H,48,50)(H,49,51);15H,4-14,18-19H2,1-3H3;12H,1-11H2,(H,20,21).

What are the key properties of 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate?

2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate has a molecular weight of 2847.24 g/mol, XLogP of -0.25, 146 rotatable bonds, 11 hydrogen bond donors, and 63 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetic acid;tert-butyl 2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-aminoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate;tert-butyl 2-[1,3-bis[2-[2-[[2-[1,3-bis[2-(2-azidoethoxy)ethoxy]propan-2-yloxy]acetyl]amino]ethoxy]ethoxy]propan-2-yloxy]acetate is sourced from PubChem (CID 159227785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).