3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane

C17H19ClSi — CID 164669642

IUPAC3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane
SMILESCC(C#C[Si](C)(C)C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H19ClSi/c1-13(11-12-19(2,3)4)14-9-10-17(18)16-8-6-5-7-15(14)16/h5-10,13H,1-4H3
InChIKeyFTPYVLPFZLMCFB-UHFFFAOYSA-N
MW286.88 g/mol
LogP5.48
Rot. Bonds1

About 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane

3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane (PubChem CID 164669642) has the molecular formula C17H19ClSi and a molecular weight of 286.88 g/mol. Its IUPAC name is 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane.

Molecular Properties

Compound Name3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane
PubChem CID164669642
Molecular FormulaC17H19ClSi
Molecular Weight286.88 g/mol
Exact Mass286.09
IUPAC Name3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane
SMILESCC(C#C[Si](C)(C)C)c1ccc(Cl)c2ccccc12
InChIInChI=1S/C17H19ClSi/c1-13(11-12-19(2,3)4)14-9-10-17(18)16-8-6-5-7-15(14)16/h5-10,13H,1-4H3
InChIKeyFTPYVLPFZLMCFB-UHFFFAOYSA-N
XLogP5.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.88
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane?
The IUPAC name of 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane (CID 164669642) is 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane.
What is the SMILES notation for 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane?
The canonical SMILES for 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane is CC(C#C[Si](C)(C)C)c1ccc(Cl)c2ccccc12.
What is the InChIKey of 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane?
The InChIKey is FTPYVLPFZLMCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClSi/c1-13(11-12-19(2,3)4)14-9-10-17(18)16-8-6-5-7-15(14)16/h5-10,13H,1-4H3.
What are the key properties of 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane?
3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane has a molecular weight of 286.88 g/mol, XLogP of 5.48, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloronaphthalen-1-yl)but-1-ynyl-trimethylsilane is sourced from PubChem (CID 164669642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).