7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid

C23H46O7Si2 — CID 22982942

About 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid

7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid (PubChem CID 22982942) has the molecular formula C23H46O7Si2 and a molecular weight of 490.79 g/mol. Its IUPAC name is 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid.

Molecular Properties

• Compound Name: 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid
• PubChem CID: 22982942
• Molecular Formula: C23H46O7Si2
• Molecular Weight: 490.79 g/mol
• Exact Mass: 490.28
• IUPAC Name: 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid
• SMILES: CCOC(=O)C(C)(C)CC(C)(CC(C)(CC)C(=O)O)C(=O)OC[Si](C)(C)O[Si](C)(C)CC
• InChI: InChI=1S/C23H46O7Si2/c1-12-22(6,18(24)25)16-23(7,15-21(4,5)19(26)28-13-2)20(27)29-17-32(10,11)30-31(8,9)14-3/h12-17H2,1-11H3,(H,24,25)
• InChIKey: SYGCBHDEXZYYKY-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 99.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 14
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.79
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid?

The IUPAC name of 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid (CID 22982942) is 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid.

What is the SMILES notation for 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid?

The canonical SMILES for 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid is CCOC(=O)C(C)(C)CC(C)(CC(C)(CC)C(=O)O)C(=O)OC[Si](C)(C)O[Si](C)(C)CC.

What is the InChIKey of 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid?

The InChIKey is SYGCBHDEXZYYKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46O7Si2/c1-12-22(6,18(24)25)16-23(7,15-21(4,5)19(26)28-13-2)20(27)29-17-32(10,11)30-31(8,9)14-3/h12-17H2,1-11H3,(H,24,25).

What are the key properties of 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid?

7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid has a molecular weight of 490.79 g/mol, XLogP of 5.39, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-ethoxy-2-ethyl-4-[[[ethyl(dimethyl)silyl]oxy-dimethylsilyl]methoxycarbonyl]-2,4,6,6-tetramethyl-7-oxoheptanoic acid is sourced from PubChem (CID 22982942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).