2-[methyl(dipropyl)silyl]acetyl chloride

C9H19ClOSi — CID 12501067

IUPAC2-[methyl(dipropyl)silyl]acetyl chloride
SMILESCCC[Si](C)(CCC)CC(=O)Cl
InChIInChI=1S/C9H19ClOSi/c1-4-6-12(3,7-5-2)8-9(10)11/h4-8H2,1-3H3
InChIKeyDTEPYGOJAHGOLN-UHFFFAOYSA-N
MW206.79 g/mol
LogP3.65
Rot. Bonds6

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

2-[methyl(dipropyl)silyl]acetyl chloride (PubChem CID 12501067) has the molecular formula C9H19ClOSi and a molecular weight of 206.79 g/mol. Its IUPAC name is 2-[methyl(dipropyl)silyl]acetyl chloride.

Molecular Properties

Compound Name2-[methyl(dipropyl)silyl]acetyl chloride
PubChem CID12501067
Molecular FormulaC9H19ClOSi
Molecular Weight206.79 g/mol
Exact Mass206.09
IUPAC Name2-[methyl(dipropyl)silyl]acetyl chloride
SMILESCCC[Si](C)(CCC)CC(=O)Cl
InChIInChI=1S/C9H19ClOSi/c1-4-6-12(3,7-5-2)8-9(10)11/h4-8H2,1-3H3
InChIKeyDTEPYGOJAHGOLN-UHFFFAOYSA-N
XLogP3.65
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.79
LogP ≤ 53.65
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-[methyl(dipropyl)silyl]acetyl chloride?
The IUPAC name of 2-[methyl(dipropyl)silyl]acetyl chloride (CID 12501067) is 2-[methyl(dipropyl)silyl]acetyl chloride.
What is the SMILES notation for 2-[methyl(dipropyl)silyl]acetyl chloride?
The canonical SMILES for 2-[methyl(dipropyl)silyl]acetyl chloride is CCC[Si](C)(CCC)CC(=O)Cl.
What is the InChIKey of 2-[methyl(dipropyl)silyl]acetyl chloride?
The InChIKey is DTEPYGOJAHGOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19ClOSi/c1-4-6-12(3,7-5-2)8-9(10)11/h4-8H2,1-3H3.
What are the key properties of 2-[methyl(dipropyl)silyl]acetyl chloride?
2-[methyl(dipropyl)silyl]acetyl chloride has a molecular weight of 206.79 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(dipropyl)silyl]acetyl chloride is sourced from PubChem (CID 12501067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).