methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate

C12H20O2Si — CID 552272

IUPACmethyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(C#C[Si](C)(C)C)C1(C)C
InChIInChI=1S/C12H20O2Si/c1-12(2)9(7-8-15(4,5)6)10(12)11(13)14-3/h9-10H,1-6H3
InChIKeyVAYBKVVYRZBQFC-UHFFFAOYSA-N
MW224.38 g/mol
LogP2.31
Rot. Bonds1

About methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate

methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (PubChem CID 552272) has the molecular formula C12H20O2Si and a molecular weight of 224.38 g/mol. Its IUPAC name is methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
PubChem CID552272
Molecular FormulaC12H20O2Si
Molecular Weight224.38 g/mol
Exact Mass224.12
IUPAC Namemethyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1C(C#C[Si](C)(C)C)C1(C)C
InChIInChI=1S/C12H20O2Si/c1-12(2)9(7-8-15(4,5)6)10(12)11(13)14-3/h9-10H,1-6H3
InChIKeyVAYBKVVYRZBQFC-UHFFFAOYSA-N
XLogP2.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.38
LogP ≤ 52.31
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-methyl-2-(trimethylsilylethynyl)cyclopropanecarboxylate
CID 547894
Ethyl 2,2-dimethyl-3-(1-propynyl)cyclopropanecarboxylate
CID 10899275
Methyl 2,2-difluoro-2-[1-(2-trimethylsilylethynyl)cyclopropyl]acetate
CID 176187886
2-Trimethylsilylethynyl-2-methylcyclopropanecarboxylic acid
CID 129811504
Trimethylsilylethynylmethylcyclopropane-carboxylic acid
CID 129879025
Methyl 1-(3,3-dimethylbut-1-ynyl)-2,2,3,3-tetramethylcyclopropanecarboxylate
CID 138756908
Cyclopropanecarboxylic acid, 2,2,3,3-tetramethyl-1-(3-methyl-1-pentynyl)-, methyl ester
CID 535400
Methyl 2-[3-(trimethylsilyl)-2-propynyl]cyclopropanecarboxylate
CID 544130
Cyclopropanecarboxylic acid,-2-trimethylsilylethynyl, methyl ester
CID 548087
Methyl 2-methyl-1-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 574868
Diethyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1,1-dicarboxylate
CID 11077794
Methyl 2,2-dimethyl-3-prop-1-ynylcyclopropane-1-carboxylate
CID 11665466

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (CID 552272) is methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is COC(=O)C1C(C#C[Si](C)(C)C)C1(C)C.
What is the InChIKey of methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The InChIKey is VAYBKVVYRZBQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2Si/c1-12(2)9(7-8-15(4,5)6)10(12)11(13)14-3/h9-10H,1-6H3.
What are the key properties of methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate has a molecular weight of 224.38 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-3-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 552272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).