ethyl 4-trimethylsilyloxybut-2-ynoate

C9H16O3Si — CID 14288400

IUPACethyl 4-trimethylsilyloxybut-2-ynoate
SMILESCCOC(=O)C#CCO[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-5-11-9(10)7-6-8-12-13(2,3)4/h5,8H2,1-4H3
InChIKeyTYKGOIUOOCPLLA-UHFFFAOYSA-N
MW200.31 g/mol
LogP1.40
Rot. Bonds3

About ethyl 4-trimethylsilyloxybut-2-ynoate

ethyl 4-trimethylsilyloxybut-2-ynoate (PubChem CID 14288400) has the molecular formula C9H16O3Si and a molecular weight of 200.31 g/mol. Its IUPAC name is ethyl 4-trimethylsilyloxybut-2-ynoate.

Molecular Properties

Compound Nameethyl 4-trimethylsilyloxybut-2-ynoate
PubChem CID14288400
Molecular FormulaC9H16O3Si
Molecular Weight200.31 g/mol
Exact Mass200.09
IUPAC Nameethyl 4-trimethylsilyloxybut-2-ynoate
SMILESCCOC(=O)C#CCO[Si](C)(C)C
InChIInChI=1S/C9H16O3Si/c1-5-11-9(10)7-6-8-12-13(2,3)4/h5,8H2,1-4H3
InChIKeyTYKGOIUOOCPLLA-UHFFFAOYSA-N
XLogP1.40
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.31
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_5', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-trimethylsilyloxybut-2-ynoate?
The IUPAC name of ethyl 4-trimethylsilyloxybut-2-ynoate (CID 14288400) is ethyl 4-trimethylsilyloxybut-2-ynoate.
What is the SMILES notation for ethyl 4-trimethylsilyloxybut-2-ynoate?
The canonical SMILES for ethyl 4-trimethylsilyloxybut-2-ynoate is CCOC(=O)C#CCO[Si](C)(C)C.
What is the InChIKey of ethyl 4-trimethylsilyloxybut-2-ynoate?
The InChIKey is TYKGOIUOOCPLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3Si/c1-5-11-9(10)7-6-8-12-13(2,3)4/h5,8H2,1-4H3.
What are the key properties of ethyl 4-trimethylsilyloxybut-2-ynoate?
ethyl 4-trimethylsilyloxybut-2-ynoate has a molecular weight of 200.31 g/mol, XLogP of 1.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-trimethylsilyloxybut-2-ynoate is sourced from PubChem (CID 14288400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).