ethyl (E)-2-trimethylsilylbut-2-enoate

C9H18O2Si — CID 12697929

IUPACethyl (E)-2-trimethylsilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h6H,7H2,1-5H3/b8-6+
InChIKeyWKKSERMLMWXTIT-SOFGYWHQSA-N
MW186.33 g/mol
LogP2.37
Rot. Bonds3

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

ethyl (E)-2-trimethylsilylbut-2-enoate (PubChem CID 12697929) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is ethyl (E)-2-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-2-trimethylsilylbut-2-enoate
PubChem CID12697929
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nameethyl (E)-2-trimethylsilylbut-2-enoate
SMILESC/C=C(\C(=O)OCC)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h6H,7H2,1-5H3/b8-6+
InChIKeyWKKSERMLMWXTIT-SOFGYWHQSA-N
XLogP2.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.33
LogP ≤ 52.37
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-trimethylsilylbut-2-enoate?
The IUPAC name of ethyl (E)-2-trimethylsilylbut-2-enoate (CID 12697929) is ethyl (E)-2-trimethylsilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-2-trimethylsilylbut-2-enoate?
The canonical SMILES for ethyl (E)-2-trimethylsilylbut-2-enoate is C/C=C(\C(=O)OCC)[Si](C)(C)C.
What is the InChIKey of ethyl (E)-2-trimethylsilylbut-2-enoate?
The InChIKey is WKKSERMLMWXTIT-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-6-8(12(3,4)5)9(10)11-7-2/h6H,7H2,1-5H3/b8-6+.
What are the key properties of ethyl (E)-2-trimethylsilylbut-2-enoate?
ethyl (E)-2-trimethylsilylbut-2-enoate has a molecular weight of 186.33 g/mol, XLogP of 2.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-2-trimethylsilylbut-2-enoate is sourced from PubChem (CID 12697929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).