ethyl 3-trimethylsilylprop-2-ynoate

C8H14O2Si — CID 568601

IUPACethyl 3-trimethylsilylprop-2-ynoate
SMILESCCOC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
InChIKeyQRBKPHYAIRLCLK-UHFFFAOYSA-N
MW170.28 g/mol
LogP1.43
Rot. Bonds1

About ethyl 3-trimethylsilylprop-2-ynoate

ethyl 3-trimethylsilylprop-2-ynoate (PubChem CID 568601) has the molecular formula C8H14O2Si and a molecular weight of 170.28 g/mol. Its IUPAC name is ethyl 3-trimethylsilylprop-2-ynoate.

Molecular Properties

Compound Nameethyl 3-trimethylsilylprop-2-ynoate
PubChem CID568601
Molecular FormulaC8H14O2Si
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Nameethyl 3-trimethylsilylprop-2-ynoate
SMILESCCOC(=O)C#C[Si](C)(C)C
InChIInChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3
InChIKeyQRBKPHYAIRLCLK-UHFFFAOYSA-N
XLogP1.43
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.43
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

Ethyl 3-(trimethylsilyl)propionate
CID 262852
Methyl (trimethylsilyl)propiolate
CID 560731
1-Propanol, 3-(trimethylsilyl)-, 1-acetate
CID 87619
Methyl 4-((tert-butyldimethylsilyl)oxy)but-2-ynoate
CID 11117822
Ethyl 3-(trimethylsilyl)propionate-2,2,3,3-d4
CID 16212916
Ethyl 2-(trimethylsilyl)propanoate
CID 268025
4-(Trimethyl-silyl)butyl acetate
CID 13549953
4-(3-Trimethylsilylprop-2-ynoxy)but-2-ynoic acid
CID 86097791
Ethyl 5-tri(propan-2-yl)silyloxypent-2-ynoate
CID 10542121
(R)-4-Trimethylsilyl-3-butin-2-yl-acetat
CID 10997726
Ethyl 4-(trimethylsilyl)but-3-ynoate
CID 11298356
2-Butynoic acid, 4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-, ethyl ester
CID 11447879

Frequently Asked Questions

What is the IUPAC name of ethyl 3-trimethylsilylprop-2-ynoate?
The IUPAC name of ethyl 3-trimethylsilylprop-2-ynoate (CID 568601) is ethyl 3-trimethylsilylprop-2-ynoate.
What is the SMILES notation for ethyl 3-trimethylsilylprop-2-ynoate?
The canonical SMILES for ethyl 3-trimethylsilylprop-2-ynoate is CCOC(=O)C#C[Si](C)(C)C.
What is the InChIKey of ethyl 3-trimethylsilylprop-2-ynoate?
The InChIKey is QRBKPHYAIRLCLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O2Si/c1-5-10-8(9)6-7-11(2,3)4/h5H2,1-4H3.
What are the key properties of ethyl 3-trimethylsilylprop-2-ynoate?
ethyl 3-trimethylsilylprop-2-ynoate has a molecular weight of 170.28 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-trimethylsilylprop-2-ynoate is sourced from PubChem (CID 568601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).