ethyl (E)-3-trimethylsilylbut-2-enoate

C9H18O2Si — CID 13087507

IUPACethyl (E)-3-trimethylsilylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-11-9(10)7-8(2)12(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyXEBOGXJUXPKMKR-BQYQJAHWSA-N
MW186.33 g/mol
LogP2.37
Rot. Bonds3

About ethyl (E)-3-trimethylsilylbut-2-enoate

ethyl (E)-3-trimethylsilylbut-2-enoate (PubChem CID 13087507) has the molecular formula C9H18O2Si and a molecular weight of 186.33 g/mol. Its IUPAC name is ethyl (E)-3-trimethylsilylbut-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-trimethylsilylbut-2-enoate
PubChem CID13087507
Molecular FormulaC9H18O2Si
Molecular Weight186.33 g/mol
Exact Mass186.11
IUPAC Nameethyl (E)-3-trimethylsilylbut-2-enoate
SMILESCCOC(=O)/C=C(\C)[Si](C)(C)C
InChIInChI=1S/C9H18O2Si/c1-6-11-9(10)7-8(2)12(3,4)5/h7H,6H2,1-5H3/b8-7+
InChIKeyXEBOGXJUXPKMKR-BQYQJAHWSA-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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Related Compounds

3-(Trimethylsilyloxy)-2-butenoic Acid Methyl Ester
CID 2733746
Methyl 3-((trimethylsilyl)oxy)-2-butenoate
CID 5702587
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester, (2E,4E)-
CID 58361202
2,4-Hexadienoic acid, 3-(trimethoxysilyl)propyl ester
CID 76734167
Methyl 3-((trimethylsilyl)oxy)but-2-enoate
CID 6115690
3-(Triallylsilyl)propyl Acrylate (stabilized with MEHQ)
CID 125370311
3-(2-trimethylsilylethynyl)-2H-furan-5-one
CID 11816216
ethyl (2E)-3-trimethylsilylhexa-2,5-dienoate
CID 11845191
ethyl (E)-4-trimethylsilylbut-2-enoate
CID 13185411
methyl (2E,4E)-5-trimethylsilylpenta-2,4-dienoate
CID 14175468
ethyl (E)-3-methyl-4-trimethylsilylbut-2-enoate
CID 14449541
ethyl (E)-3-triethoxysilylbut-2-enoate
CID 146162553

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-trimethylsilylbut-2-enoate?
The IUPAC name of ethyl (E)-3-trimethylsilylbut-2-enoate (CID 13087507) is ethyl (E)-3-trimethylsilylbut-2-enoate.
What is the SMILES notation for ethyl (E)-3-trimethylsilylbut-2-enoate?
The canonical SMILES for ethyl (E)-3-trimethylsilylbut-2-enoate is CCOC(=O)/C=C(\C)[Si](C)(C)C.
What is the InChIKey of ethyl (E)-3-trimethylsilylbut-2-enoate?
The InChIKey is XEBOGXJUXPKMKR-BQYQJAHWSA-N. The full InChI is InChI=1S/C9H18O2Si/c1-6-11-9(10)7-8(2)12(3,4)5/h7H,6H2,1-5H3/b8-7+.
What are the key properties of ethyl (E)-3-trimethylsilylbut-2-enoate?
ethyl (E)-3-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)-3-trimethylsilylbut-2-enoate is sourced from PubChem (CID 13087507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).