Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

C₁₈H₄₀O₄Si₂ — CID 156726768

About Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate

Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (PubChem CID 156726768) has the molecular formula C₁₈H₄₀O₄Si₂ and a molecular weight of 376.69 g/mol. Its IUPAC name is methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.

Molecular Properties

• Compound Name: Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
• PubChem CID: 156726768
• Molecular Formula: C₁₈H₄₀O₄Si₂
• Molecular Weight: 376.69 g/mol
• Exact Mass: 376.25
• IUPAC Name: methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate
• SMILES: COC(=O)CC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C18H40O4Si2/c1-15(12-16(19)20-8)13-21-24(11,18(5,6)7)14-22-23(9,10)17(2,3)4/h15H,12-14H2,1-11H3
• InChIKey: QBJFTIRMMJUKCO-UHFFFAOYSA-N
• XLogP: 5.14
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	376.69
LogP ≤ 5	5.14
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?

The IUPAC name of Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate (CID 156726768) is methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate.

What is the SMILES notation for Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?

The canonical SMILES for Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is COC(=O)CC(C)CO[Si](C)(CO[Si](C)(C)C(C)(C)C)C(C)(C)C.

What is the InChIKey of Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?

The InChIKey is QBJFTIRMMJUKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40O4Si2/c1-15(12-16(19)20-8)13-21-24(11,18(5,6)7)14-22-23(9,10)17(2,3)4/h15H,12-14H2,1-11H3.

What are the key properties of Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate?

Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate has a molecular weight of 376.69 g/mol, XLogP of 5.14, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 4-[tert-butyl-[[tert-butyl(dimethyl)silyl]oxymethyl]-methylsilyl]oxy-3-methylbutanoate is sourced from PubChem (CID 156726768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156726768 — identifiers, structure, computed properties (public domain)

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