methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate

C15H20O4Si — CID 11197116

IUPACmethyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1c(C#C[Si](C)(C)C)ccc(OC)c1OC
InChIInChI=1S/C15H20O4Si/c1-17-12-8-7-11(9-10-20(4,5)6)13(14(12)18-2)15(16)19-3/h7-8H,1-6H3
InChIKeyDIXZQVIRWVVRFY-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.72
Rot. Bonds3

About methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate

methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate (PubChem CID 11197116) has the molecular formula C15H20O4Si and a molecular weight of 292.41 g/mol. Its IUPAC name is methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate.

Molecular Properties

Compound Namemethyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
PubChem CID11197116
Molecular FormulaC15H20O4Si
Molecular Weight292.41 g/mol
Exact Mass292.11
IUPAC Namemethyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
SMILESCOC(=O)c1c(C#C[Si](C)(C)C)ccc(OC)c1OC
InChIInChI=1S/C15H20O4Si/c1-17-12-8-7-11(9-10-20(4,5)6)13(14(12)18-2)15(16)19-3/h7-8H,1-6H3
InChIKeyDIXZQVIRWVVRFY-UHFFFAOYSA-N
XLogP2.72
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
CID 66640173
dimethyl 3,4-dimethoxybenzene-1,2-dicarboxylate
CID 16637829
methyl 4-methoxy-5-(2-trimethylsilylethynyl)pyridine-2-carboxylate
CID 169495051
methyl 4-amino-2-methoxy-5-(2-trimethylsilylethynyl)benzoate
CID 141367540
2-(2-methoxyphenyl)ethynyl-trimethylsilane
CID 5140915
methyl 2-amino-3-cyano-6-methoxybenzoate
CID 178130883
methyl 2,6-difluoro-4-(2-trimethylsilylethynyl)benzoate
CID 140966195
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
1-[2-methoxy-5-(2-trimethylsilylethynyl)phenyl]ethanone
CID 70149856
methyl 6-cyano-2-methoxy-3-sulfanylbenzoate
CID 134647877
methyl 3,4,6-trimethoxy-2-methylbenzoate
CID 14037919

Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate?
The IUPAC name of methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate (CID 11197116) is methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate.
What is the SMILES notation for methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate?
The canonical SMILES for methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate is COC(=O)c1c(C#C[Si](C)(C)C)ccc(OC)c1OC.
What is the InChIKey of methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate?
The InChIKey is DIXZQVIRWVVRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4Si/c1-17-12-8-7-11(9-10-20(4,5)6)13(14(12)18-2)15(16)19-3/h7-8H,1-6H3.
What are the key properties of methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate?
methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate has a molecular weight of 292.41 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate is sourced from PubChem (CID 11197116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).