2-silylethyl but-2-enoate

C6H12O2Si — CID 154326244

IUPAC2-silylethyl but-2-enoate
SMILESCC=CC(=O)OCC[SiH3]
InChIInChI=1S/C6H12O2Si/c1-2-3-6(7)8-4-5-9/h2-3H,4-5H2,1,9H3
InChIKeyWULIQQIUJDLIFS-UHFFFAOYSA-N
MW144.25 g/mol
LogP-0.11
Rot. Bonds3

About 2-silylethyl but-2-enoate

2-silylethyl but-2-enoate (PubChem CID 154326244) has the molecular formula C6H12O2Si and a molecular weight of 144.25 g/mol. Its IUPAC name is 2-silylethyl but-2-enoate.

Molecular Properties

Compound Name2-silylethyl but-2-enoate
PubChem CID154326244
Molecular FormulaC6H12O2Si
Molecular Weight144.25 g/mol
Exact Mass144.06
IUPAC Name2-silylethyl but-2-enoate
SMILESCC=CC(=O)OCC[SiH3]
InChIInChI=1S/C6H12O2Si/c1-2-3-6(7)8-4-5-9/h2-3H,4-5H2,1,9H3
InChIKeyWULIQQIUJDLIFS-UHFFFAOYSA-N
XLogP-0.11
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.25
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-silylethyl but-2-enoate?
The IUPAC name of 2-silylethyl but-2-enoate (CID 154326244) is 2-silylethyl but-2-enoate.
What is the SMILES notation for 2-silylethyl but-2-enoate?
The canonical SMILES for 2-silylethyl but-2-enoate is CC=CC(=O)OCC[SiH3].
What is the InChIKey of 2-silylethyl but-2-enoate?
The InChIKey is WULIQQIUJDLIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2Si/c1-2-3-6(7)8-4-5-9/h2-3H,4-5H2,1,9H3.
What are the key properties of 2-silylethyl but-2-enoate?
2-silylethyl but-2-enoate has a molecular weight of 144.25 g/mol, XLogP of -0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-silylethyl but-2-enoate is sourced from PubChem (CID 154326244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).