5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride

C11H15ClOSi — CID 102409127

IUPAC5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride
SMILESCC(C)(C)[Si](C)(C)C#CC#CC(=O)Cl
InChIInChI=1S/C11H15ClOSi/c1-11(2,3)14(4,5)9-7-6-8-10(12)13/h1-5H3
InChIKeyRDIAUZAPKJOVLA-UHFFFAOYSA-N
MW226.78 g/mol
LogP2.81
Rot. Bonds

About 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride

5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride (PubChem CID 102409127) has the molecular formula C11H15ClOSi and a molecular weight of 226.78 g/mol. Its IUPAC name is 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride.

Molecular Properties

Compound Name5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride
PubChem CID102409127
Molecular FormulaC11H15ClOSi
Molecular Weight226.78 g/mol
Exact Mass226.06
IUPAC Name5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride
SMILESCC(C)(C)[Si](C)(C)C#CC#CC(=O)Cl
InChIInChI=1S/C11H15ClOSi/c1-11(2,3)14(4,5)9-7-6-8-10(12)13/h1-5H3
InChIKeyRDIAUZAPKJOVLA-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.78
LogP ≤ 52.81
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride?
The IUPAC name of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride (CID 102409127) is 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride.
What is the SMILES notation for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride?
The canonical SMILES for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride is CC(C)(C)[Si](C)(C)C#CC#CC(=O)Cl.
What is the InChIKey of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride?
The InChIKey is RDIAUZAPKJOVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClOSi/c1-11(2,3)14(4,5)9-7-6-8-10(12)13/h1-5H3.
What are the key properties of 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride?
5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride has a molecular weight of 226.78 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[tert-butyl(dimethyl)silyl]penta-2,4-diynoyl chloride is sourced from PubChem (CID 102409127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).