ethyl (E)-2-triethylsilylbut-2-enoate

C12H24O2Si — CID 102499701

IUPACethyl (E)-2-triethylsilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-11(12(13)14-7-2)15(8-3,9-4)10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyVCWXBWQMQAIEGA-IZZDOVSWSA-N
MW228.41 g/mol
LogP3.54
Rot. Bonds6

About ethyl (E)-2-triethylsilylbut-2-enoate

ethyl (E)-2-triethylsilylbut-2-enoate (PubChem CID 102499701) has the molecular formula C12H24O2Si and a molecular weight of 228.41 g/mol. Its IUPAC name is ethyl (E)-2-triethylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-triethylsilylbut-2-enoate
PubChem CID102499701
Molecular FormulaC12H24O2Si
Molecular Weight228.41 g/mol
Exact Mass228.15
IUPAC Nameethyl (E)-2-triethylsilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](CC)(CC)CC
InChIInChI=1S/C12H24O2Si/c1-6-11(12(13)14-7-2)15(8-3,9-4)10-5/h6H,7-10H2,1-5H3/b11-6+
InChIKeyVCWXBWQMQAIEGA-IZZDOVSWSA-N
XLogP3.54
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.41
LogP ≤ 53.54
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 ethyl (E)-2-triethylsilylbut-2-enoate?
The IUPAC name of ethyl (E)-2-triethylsilylbut-2-enoate (CID 102499701) is ethyl (E)-2-triethylsilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-2-triethylsilylbut-2-enoate?
The canonical SMILES for ethyl (E)-2-triethylsilylbut-2-enoate is C/C=C(\C(=O)OCC)[Si](CC)(CC)CC.
What is the InChIKey of ethyl (E)-2-triethylsilylbut-2-enoate?
The InChIKey is VCWXBWQMQAIEGA-IZZDOVSWSA-N. The full InChI is InChI=1S/C12H24O2Si/c1-6-11(12(13)14-7-2)15(8-3,9-4)10-5/h6H,7-10H2,1-5H3/b11-6+.
What are the key properties of ethyl (E)-2-triethylsilylbut-2-enoate?
ethyl (E)-2-triethylsilylbut-2-enoate has a molecular weight of 228.41 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-triethylsilylbut-2-enoate is sourced from PubChem (CID 102499701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).