6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate

C57H88O27 — CID 58427584

About 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate

6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate (PubChem CID 58427584) has the molecular formula C57H88O27 and a molecular weight of 1205.30 g/mol. Its IUPAC name is 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate.

Molecular Properties

• Compound Name: 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate
• PubChem CID: 58427584
• Molecular Formula: C57H88O27
• Molecular Weight: 1205.30 g/mol
• Exact Mass: 1204.55
• IUPAC Name: 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate
• SMILES: CCOC(=O)CCC1(C)OCC(COC(=O)CCC2(C)OCC(COC(=O)CCC3(C)OCC(COC(=O)CCC4(C)OCC(COC(=O)CCCCC(=O)OCC5COC(C)(CCC(=O)OCC6COC(C)(CCC(C)=O)O6)O5)O4)O3)O2)O1
• InChI: InChI=1S/C57H88O27/c1-9-66-47(61)15-21-53(4)74-35-42(82-53)29-70-50(64)18-24-56(7)77-37-44(84-56)31-72-51(65)19-25-57(8)78-36-43(83-57)30-71-49(63)17-23-55(6)76-34-40(81-55)27-68-46(60)13-11-10-12-45(59)67-26-39-33-75-54(5,80-39)22-16-48(62)69-28-41-32-73-52(3,79-41)20-14-38(2)58/h39-44H,9-37H2,1-8H3
• InChIKey: PJFWHTPOYVYILF-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 311.93 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 36
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1205.30
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate?

The IUPAC name of 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate (CID 58427584) is 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate.

What is the SMILES notation for 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate?

The canonical SMILES for 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate is CCOC(=O)CCC1(C)OCC(COC(=O)CCC2(C)OCC(COC(=O)CCC3(C)OCC(COC(=O)CCC4(C)OCC(COC(=O)CCCCC(=O)OCC5COC(C)(CCC(=O)OCC6COC(C)(CCC(C)=O)O6)O5)O4)O3)O2)O1.

What is the InChIKey of 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate?

The InChIKey is PJFWHTPOYVYILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H88O27/c1-9-66-47(61)15-21-53(4)74-35-42(82-53)29-70-50(64)18-24-56(7)77-37-44(84-56)31-72-51(65)19-25-57(8)78-36-43(83-57)30-71-49(63)17-23-55(6)76-34-40(81-55)27-68-46(60)13-11-10-12-45(59)67-26-39-33-75-54(5,80-39)22-16-48(62)69-28-41-32-73-52(3,79-41)20-14-38(2)58/h39-44H,9-37H2,1-8H3.

What are the key properties of 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate?

6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate has a molecular weight of 1205.30 g/mol, XLogP of 4.43, 36 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-O-[[2-[3-[[2-[3-[[2-[3-[[2-(3-ethoxy-3-oxopropyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-2-methyl-1,3-dioxolan-4-yl]methyl] 1-O-[[2-methyl-2-[3-[[2-methyl-2-(3-oxobutyl)-1,3-dioxolan-4-yl]methoxy]-3-oxopropyl]-1,3-dioxolan-4-yl]methyl] hexanedioate is sourced from PubChem (CID 58427584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).