2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane

C13H18O2Si — CID 11160666

IUPAC2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
SMILESCOc1ccc(C#C[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H18O2Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16(3,4)5/h6-7,10H,1-5H3
InChIKeyLYTVGESGELVQRK-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.93
Rot. Bonds2

About 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane

2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane (PubChem CID 11160666) has the molecular formula C13H18O2Si and a molecular weight of 234.37 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
PubChem CID11160666
Molecular FormulaC13H18O2Si
Molecular Weight234.37 g/mol
Exact Mass234.11
IUPAC Name2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane
SMILESCOc1ccc(C#C[Si](C)(C)C)cc1OC
InChIInChI=1S/C13H18O2Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16(3,4)5/h6-7,10H,1-5H3
InChIKeyLYTVGESGELVQRK-UHFFFAOYSA-N
XLogP2.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
ethane;4-ethynyl-1,2-dimethoxybenzene
CID 91460620
5-[2-(3,4-dimethoxyphenyl)ethynyl]benzene-1,3-diol
CID 171920433
5-[2-(3,4-dimethoxyphenyl)ethynyl]-2,4-dimethyl-1,3-oxazole
CID 167782630
5-[2-[4-[2-(3,4-dimethoxyphenyl)ethynyl]phenyl]ethynyl]-1,3-benzodioxole
CID 170459548
4-(3,4-dimethoxyphenyl)but-3-ynenitrile
CID 170475083
2-[3,6-dimethoxy-7-(2-trimethylsilylethynyl)naphthalen-2-yl]ethynyl-trimethylsilane
CID 169050071
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
2-[(4-methoxyphenyl)methoxy]-5-(2-trimethylsilylethynyl)benzaldehyde
CID 172541807
2-(2-methoxy-5-nitrophenyl)ethynyl-trimethylsilane
CID 142387759
2-[2-(3,4-dimethoxyphenyl)ethynyl]-6-[2-(4-methoxyphenyl)ethynyl]pyrazine
CID 171920307
methyl 2-hydroxy-5-(2-trimethylsilylethynyl)benzoate
CID 19423395

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane?
The IUPAC name of 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane (CID 11160666) is 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane is COc1ccc(C#C[Si](C)(C)C)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane?
The InChIKey is LYTVGESGELVQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2Si/c1-14-12-7-6-11(10-13(12)15-2)8-9-16(3,4)5/h6-7,10H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane?
2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane has a molecular weight of 234.37 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)ethynyl-trimethylsilane is sourced from PubChem (CID 11160666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).