ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate

C12H20O3Si — CID 123597559

IUPACethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CO)CC1C#C[Si](C)(C)C
InChIInChI=1S/C12H20O3Si/c1-5-15-11(14)12(9-13)8-10(12)6-7-16(2,3)4/h10,13H,5,8-9H2,1-4H3
InChIKeyXHEPFPJKRZSNHF-UHFFFAOYSA-N
MW240.37 g/mol
LogP1.43
Rot. Bonds3

About ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate

ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (PubChem CID 123597559) has the molecular formula C12H20O3Si and a molecular weight of 240.37 g/mol. Its IUPAC name is ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
PubChem CID123597559
Molecular FormulaC12H20O3Si
Molecular Weight240.37 g/mol
Exact Mass240.12
IUPAC Nameethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(CO)CC1C#C[Si](C)(C)C
InChIInChI=1S/C12H20O3Si/c1-5-15-11(14)12(9-13)8-10(12)6-7-16(2,3)4/h10,13H,5,8-9H2,1-4H3
InChIKeyXHEPFPJKRZSNHF-UHFFFAOYSA-N
XLogP1.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

ethyl 1,2-bis(hydroxymethyl)cyclopropane-1-carboxylate
CID 12035454
ethyl (1R,5R)-5-(hydroxymethyl)-7,7-bis(2-trimethylsilylethynyl)-6-oxabicyclo[3.2.1]octane-1-carboxylate
CID 11575039
trans-ethyl (1R,2R)-1-ethyl-2-phenylcyclopropane-1-carboxylate
CID 102520538
diethyl 3,3-dimethyl-2-(4-trimethylsilylbut-3-ynyl)cyclohexane-1,1-dicarboxylate
CID 11143411
trans-ethyl (1R,3S)-3-hydroxy-1-[3-hydroxy-1,5-bis(trimethylsilyl)penta-1,4-diyn-3-yl]-3-(hydroxymethyl)cyclohexane-1-carboxylate
CID 11517474
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
CID 129415808
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
ethyl 1-amino-2,3-dimethylcyclobutane-1-carboxylate
CID 130703819
ethyl 6-methyl-2-oxo-4-(2-trimethylsilylethynyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 102579599
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate (CID 123597559) is ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is CCOC(=O)C1(CO)CC1C#C[Si](C)(C)C.
What is the InChIKey of ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
The InChIKey is XHEPFPJKRZSNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3Si/c1-5-15-11(14)12(9-13)8-10(12)6-7-16(2,3)4/h10,13H,5,8-9H2,1-4H3.
What are the key properties of ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate?
ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate has a molecular weight of 240.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(hydroxymethyl)-2-(2-trimethylsilylethynyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 123597559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).