ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

C38H72O14Si4 — CID 158638195

About ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate

ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (PubChem CID 158638195) has the molecular formula C38H72O14Si4 and a molecular weight of 865.32 g/mol. Its IUPAC name is ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.

Molecular Properties

• Compound Name: ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
• PubChem CID: 158638195
• Molecular Formula: C38H72O14Si4
• Molecular Weight: 865.32 g/mol
• Exact Mass: 864.40
• IUPAC Name: ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate
• SMILES: CCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OCC.COC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OC
• InChI: InChI=1S/C20H38O7Si2.C18H34O7Si2/c1-7-25-19(23)17(21)13-9-11-15-28(3,4)27-29(5,6)16-12-10-14-18(22)20(24)26-8-2;1-23-17(21)15(19)11-7-9-13-26(3,4)25-27(5,6)14-10-8-12-16(20)18(22)24-2/h7-16H2,1-6H3;7-14H2,1-6H3
• InChIKey: IAAOMAYOJCGUBC-UHFFFAOYSA-N
• XLogP: 7.26
• TPSA: 191.94 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 30
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.32
LogP ≤ 5	7.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?

The IUPAC name of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate (CID 158638195) is ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate.

What is the SMILES notation for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?

The canonical SMILES for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is CCOC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OCC.COC(=O)C(=O)CCCC[Si](C)(C)O[Si](C)(C)CCCCC(=O)C(=O)OC.

What is the InChIKey of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?

The InChIKey is IAAOMAYOJCGUBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38O7Si2.C18H34O7Si2/c1-7-25-19(23)17(21)13-9-11-15-28(3,4)27-29(5,6)16-12-10-14-18(22)20(24)26-8-2;1-23-17(21)15(19)11-7-9-13-26(3,4)25-27(5,6)14-10-8-12-16(20)18(22)24-2/h7-16H2,1-6H3;7-14H2,1-6H3.

What are the key properties of ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate?

ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate has a molecular weight of 865.32 g/mol, XLogP of 7.26, 30 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[[(6-ethoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate;methyl 6-[[(6-methoxy-5,6-dioxohexyl)-dimethylsilyl]oxy-dimethylsilyl]-2-oxohexanoate is sourced from PubChem (CID 158638195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).