ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate

C14H26O2Si — CID 87271842

IUPACethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate
SMILESC=C[Si](CC)(CC)CC.COC(=O)C1=CCC1
InChIInChI=1S/C8H18Si.C6H8O2/c1-5-9(6-2,7-3)8-4;1-8-6(7)5-3-2-4-5/h5H,1,6-8H2,2-4H3;3H,2,4H2,1H3
InChIKeyNFRNQCHHCFIWHX-UHFFFAOYSA-N
MW254.45 g/mol
LogP4.10
Rot. Bonds5

About ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate

ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate (PubChem CID 87271842) has the molecular formula C14H26O2Si and a molecular weight of 254.45 g/mol. Its IUPAC name is ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate.

Molecular Properties

Compound Nameethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate
PubChem CID87271842
Molecular FormulaC14H26O2Si
Molecular Weight254.45 g/mol
Exact Mass254.17
IUPAC Nameethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate
SMILESC=C[Si](CC)(CC)CC.COC(=O)C1=CCC1
InChIInChI=1S/C8H18Si.C6H8O2/c1-5-9(6-2,7-3)8-4;1-8-6(7)5-3-2-4-5/h5H,1,6-8H2,2-4H3;3H,2,4H2,1H3
InChIKeyNFRNQCHHCFIWHX-UHFFFAOYSA-N
XLogP4.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate?
The IUPAC name of ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate (CID 87271842) is ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate.
What is the SMILES notation for ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate?
The canonical SMILES for ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate is C=C[Si](CC)(CC)CC.COC(=O)C1=CCC1.
What is the InChIKey of ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate?
The InChIKey is NFRNQCHHCFIWHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18Si.C6H8O2/c1-5-9(6-2,7-3)8-4;1-8-6(7)5-3-2-4-5/h5H,1,6-8H2,2-4H3;3H,2,4H2,1H3.
What are the key properties of ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate?
ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate has a molecular weight of 254.45 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl(triethyl)silane;methyl cyclobutene-1-carboxylate is sourced from PubChem (CID 87271842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).