2-[dibutyl(methyl)silyl]acetyl chloride

C11H23ClOSi — CID 12501068

IUPAC2-[dibutyl(methyl)silyl]acetyl chloride
SMILESCCCC[Si](C)(CCCC)CC(=O)Cl
InChIInChI=1S/C11H23ClOSi/c1-4-6-8-14(3,9-7-5-2)10-11(12)13/h4-10H2,1-3H3
InChIKeyUYAAYZBMYQANLN-UHFFFAOYSA-N
MW234.84 g/mol
LogP4.43
Rot. Bonds8

About 2-[dibutyl(methyl)silyl]acetyl chloride

2-[dibutyl(methyl)silyl]acetyl chloride (PubChem CID 12501068) has the molecular formula C11H23ClOSi and a molecular weight of 234.84 g/mol. Its IUPAC name is 2-[dibutyl(methyl)silyl]acetyl chloride.

Molecular Properties

Compound Name2-[dibutyl(methyl)silyl]acetyl chloride
PubChem CID12501068
Molecular FormulaC11H23ClOSi
Molecular Weight234.84 g/mol
Exact Mass234.12
IUPAC Name2-[dibutyl(methyl)silyl]acetyl chloride
SMILESCCCC[Si](C)(CCCC)CC(=O)Cl
InChIInChI=1S/C11H23ClOSi/c1-4-6-8-14(3,9-7-5-2)10-11(12)13/h4-10H2,1-3H3
InChIKeyUYAAYZBMYQANLN-UHFFFAOYSA-N
XLogP4.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[dibutyl(methyl)silyl]acetyl chloride?
The IUPAC name of 2-[dibutyl(methyl)silyl]acetyl chloride (CID 12501068) is 2-[dibutyl(methyl)silyl]acetyl chloride.
What is the SMILES notation for 2-[dibutyl(methyl)silyl]acetyl chloride?
The canonical SMILES for 2-[dibutyl(methyl)silyl]acetyl chloride is CCCC[Si](C)(CCCC)CC(=O)Cl.
What is the InChIKey of 2-[dibutyl(methyl)silyl]acetyl chloride?
The InChIKey is UYAAYZBMYQANLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23ClOSi/c1-4-6-8-14(3,9-7-5-2)10-11(12)13/h4-10H2,1-3H3.
What are the key properties of 2-[dibutyl(methyl)silyl]acetyl chloride?
2-[dibutyl(methyl)silyl]acetyl chloride has a molecular weight of 234.84 g/mol, XLogP of 4.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dibutyl(methyl)silyl]acetyl chloride is sourced from PubChem (CID 12501068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).