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

C11H18O2Si — CID 574868

IUPACmethyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#C[Si](C)(C)C)CC1C
InChIInChI=1S/C11H18O2Si/c1-9-8-11(9,10(12)13-2)6-7-14(3,4)5/h9H,8H2,1-5H3
InChIKeyHVGJUFMXCNQDMJ-UHFFFAOYSA-N
MW210.35 g/mol
LogP2.07
Rot. Bonds1

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

methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (PubChem CID 574868) has the molecular formula C11H18O2Si and a molecular weight of 210.35 g/mol. Its IUPAC name is methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
PubChem CID574868
Molecular FormulaC11H18O2Si
Molecular Weight210.35 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(C#C[Si](C)(C)C)CC1C
InChIInChI=1S/C11H18O2Si/c1-9-8-11(9,10(12)13-2)6-7-14(3,4)5/h9H,8H2,1-5H3
InChIKeyHVGJUFMXCNQDMJ-UHFFFAOYSA-N
XLogP2.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 52.07
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
2-Trimethylsilylethynyl-2-methylcyclopropanecarboxylic acid
CID 129811504
Trimethylsilylethynylmethylcyclopropane-carboxylic acid
CID 129879025
methyl (1R)-2,2-dimethyl-1-tributylstannyl-3-trimethylsilylcyclopropane-1-carboxylate
CID 134970454
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 2,2-dimethyl-3-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 552272
3-Trimethylsilylpropyl 2,2-dimethylcyclopropane-1-carboxylate
CID 123182492
2-Trimethylsilylethyl 2,2-dimethylcyclopropane-1-carboxylate
CID 123921389
Methyl 3-(2-trimethylsilylethynyl)cyclobutane-1-carboxylate
CID 175887068
Methyl 2-[1-(2-trimethylsilylethynyl)cyclopropyl]acetate
CID 176187895

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (CID 574868) is methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is COC(=O)C1(C#C[Si](C)(C)C)CC1C.
What is the InChIKey of methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The InChIKey is HVGJUFMXCNQDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2Si/c1-9-8-11(9,10(12)13-2)6-7-14(3,4)5/h9H,8H2,1-5H3.
What are the key properties of methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate has a molecular weight of 210.35 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 574868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).