trimethylsilyl (E)-2-methylbut-2-enoate

C8H16O2Si — CID 5373531

IUPACtrimethylsilyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3/b7-6+
InChIKeyGZQWHCAXPCOMTD-VOTSOKGWSA-N
MW172.30 g/mol
LogP2.33
Rot. Bonds2

About trimethylsilyl (E)-2-methylbut-2-enoate

trimethylsilyl (E)-2-methylbut-2-enoate (PubChem CID 5373531) has the molecular formula C8H16O2Si and a molecular weight of 172.30 g/mol. Its IUPAC name is trimethylsilyl (E)-2-methylbut-2-enoate.

Molecular Properties

Compound Nametrimethylsilyl (E)-2-methylbut-2-enoate
PubChem CID5373531
Molecular FormulaC8H16O2Si
Molecular Weight172.30 g/mol
Exact Mass172.09
IUPAC Nametrimethylsilyl (E)-2-methylbut-2-enoate
SMILESC/C=C(\C)C(=O)O[Si](C)(C)C
InChIInChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3/b7-6+
InChIKeyGZQWHCAXPCOMTD-VOTSOKGWSA-N
XLogP2.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.30
LogP ≤ 52.33
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 trimethylsilyl (E)-2-methylbut-2-enoate?
The IUPAC name of trimethylsilyl (E)-2-methylbut-2-enoate (CID 5373531) is trimethylsilyl (E)-2-methylbut-2-enoate.
What is the SMILES notation for trimethylsilyl (E)-2-methylbut-2-enoate?
The canonical SMILES for trimethylsilyl (E)-2-methylbut-2-enoate is C/C=C(\C)C(=O)O[Si](C)(C)C.
What is the InChIKey of trimethylsilyl (E)-2-methylbut-2-enoate?
The InChIKey is GZQWHCAXPCOMTD-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O2Si/c1-6-7(2)8(9)10-11(3,4)5/h6H,1-5H3/b7-6+.
What are the key properties of trimethylsilyl (E)-2-methylbut-2-enoate?
trimethylsilyl (E)-2-methylbut-2-enoate has a molecular weight of 172.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilyl (E)-2-methylbut-2-enoate is sourced from PubChem (CID 5373531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).