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

C10H16O2Si — CID 548087

IUPACmethyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C#C[Si](C)(C)C
InChIInChI=1S/C10H16O2Si/c1-12-10(11)9-7-8(9)5-6-13(2,3)4/h8-9H,7H2,1-4H3
InChIKeyMAYOGESBYLDSRF-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.68
Rot. Bonds1

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

methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (PubChem CID 548087) has the molecular formula C10H16O2Si and a molecular weight of 196.32 g/mol. Its IUPAC name is methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
PubChem CID548087
Molecular FormulaC10H16O2Si
Molecular Weight196.32 g/mol
Exact Mass196.09
IUPAC Namemethyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1CC1C#C[Si](C)(C)C
InChIInChI=1S/C10H16O2Si/c1-12-10(11)9-7-8(9)5-6-13(2,3)4/h8-9H,7H2,1-4H3
InChIKeyMAYOGESBYLDSRF-UHFFFAOYSA-N
XLogP1.68
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.68
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
Propyl 2-(trimethylsilylmethyl)cyclo-propanecarboxylate
CID 13658051
Methyl 6-trimethylsilylhex-5-ynoate
CID 15214141
Methyl 2-[[methoxy-di(propan-2-yl)silyl]methyl]cyclopropane-1-carboxylate
CID 91573439
Methyl 2-[3-(trimethylsilyl)-2-propynyl]cyclopropanecarboxylate
CID 544130
Methyl 2,2-dimethyl-3-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 552272
Methyl 2-methyl-1-[(trimethylsilyl)ethynyl]cyclopropanecarboxylate
CID 574868
Hpudprfcrxvfpg-uhfffaoysa-
CID 14608103
Methyl 8-trimethylsilylocta-5,7-diynoate
CID 87930695
ethyl (3S)-3-methyl-6-trimethylsilylhex-5-ynoate
CID 89974933
Ethyl 2-methyl-3-trimethylsilylcyclopropane-1-carboxylate
CID 123157993
Methyl 7-((tert-Butyldimethylsilyl)oxy)hept-5-ynoate
CID 125382988

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (CID 548087) is methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is COC(=O)C1CC1C#C[Si](C)(C)C.
What is the InChIKey of methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The InChIKey is MAYOGESBYLDSRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2Si/c1-12-10(11)9-7-8(9)5-6-13(2,3)4/h8-9H,7H2,1-4H3.
What are the key properties of methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
methyl 2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate has a molecular weight of 196.32 g/mol, XLogP of 1.68, 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)cyclopropane-1-carboxylate is sourced from PubChem (CID 548087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).