ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate

C13H22O4Si — CID 15975995

IUPACethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)=C(O)OCC
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h14H,6-7,9H2,1-5H3
InChIKeyWGHOSZDZILLFCD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.63
Rot. Bonds5

About ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate

ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate (PubChem CID 15975995) has the molecular formula C13H22O4Si and a molecular weight of 270.40 g/mol. Its IUPAC name is ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate.

Molecular Properties

Compound Nameethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate
PubChem CID15975995
Molecular FormulaC13H22O4Si
Molecular Weight270.40 g/mol
Exact Mass270.13
IUPAC Nameethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate
SMILESCCOC(=O)C(CC#C[Si](C)(C)C)=C(O)OCC
InChIInChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h14H,6-7,9H2,1-5H3
InChIKeyWGHOSZDZILLFCD-UHFFFAOYSA-N
XLogP2.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate?
The IUPAC name of ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate (CID 15975995) is ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate.
What is the SMILES notation for ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate?
The canonical SMILES for ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate is CCOC(=O)C(CC#C[Si](C)(C)C)=C(O)OCC.
What is the InChIKey of ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate?
The InChIKey is WGHOSZDZILLFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O4Si/c1-6-16-12(14)11(13(15)17-7-2)9-8-10-18(3,4)5/h14H,6-7,9H2,1-5H3.
What are the key properties of ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate?
ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate has a molecular weight of 270.40 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[ethoxy(hydroxy)methylidene]-5-trimethylsilylpent-4-ynoate is sourced from PubChem (CID 15975995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).