methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate

C17H18O2Si — CID 66640173

IUPACmethyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(C#C[Si](C)(C)C)ccc2ccccc12
InChIInChI=1S/C17H18O2Si/c1-19-17(18)16-14(11-12-20(2,3)4)10-9-13-7-5-6-8-15(13)16/h5-10H,1-4H3
InChIKeyGXJRWOWFQXJIJZ-UHFFFAOYSA-N
MW282.42 g/mol
LogP3.86
Rot. Bonds1

About methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate

methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate (PubChem CID 66640173) has the molecular formula C17H18O2Si and a molecular weight of 282.42 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
PubChem CID66640173
Molecular FormulaC17H18O2Si
Molecular Weight282.42 g/mol
Exact Mass282.11
IUPAC Namemethyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate
SMILESCOC(=O)c1c(C#C[Si](C)(C)C)ccc2ccccc12
InChIInChI=1S/C17H18O2Si/c1-19-17(18)16-14(11-12-20(2,3)4)10-9-13-7-5-6-8-15(13)16/h5-10H,1-4H3
InChIKeyGXJRWOWFQXJIJZ-UHFFFAOYSA-N
XLogP3.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.42
LogP ≤ 53.86
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

methyl 2,3-dimethoxy-6-(2-trimethylsilylethynyl)benzoate
CID 11197116
dimethyl picene-13,14-dicarboxylate
CID 101053496
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 2-[(2-hydroxyphenyl)methyl]naphthalene-1-carboxylate
CID 15483504
methyl 2-(2-methylpropyl)naphthalene-1-carboxylate
CID 141020633
methyl 3-hydroxyphenanthrene-4-carboxylate
CID 89028786
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
[1-[2-acetyloxy-3-(2-trimethylsilylethynyl)naphthalen-1-yl]-3-(2-trimethylsilylethynyl)naphthalen-2-yl] acetate
CID 132522627
methyl 2-prop-2-enoxynaphthalene-1-carboxylate
CID 118875774
methyl acridine-9-carboxylate
CID 21211
methyl 2-(1-benzofuran-2-yl)naphthalene-1-carboxylate
CID 71059270
2-chrysen-5-yl(1,2-13C2)ethynyl(trimethyl)silane
CID 66552882

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate?
The IUPAC name of methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate (CID 66640173) is methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate.
What is the SMILES notation for methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate?
The canonical SMILES for methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate is COC(=O)c1c(C#C[Si](C)(C)C)ccc2ccccc12.
What is the InChIKey of methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate?
The InChIKey is GXJRWOWFQXJIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2Si/c1-19-17(18)16-14(11-12-20(2,3)4)10-9-13-7-5-6-8-15(13)16/h5-10H,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate?
methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate has a molecular weight of 282.42 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-trimethylsilylethynyl)naphthalene-1-carboxylate is sourced from PubChem (CID 66640173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).