methyl 3-trimethylsilyloxybut-2-enoate

C8H16O3Si — CID 2733746

IUPACmethyl 3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3
InChIKeyOQNKCUVOGBTGDJ-UHFFFAOYSA-N
MW188.30 g/mol
LogP1.91
Rot. Bonds3

About methyl 3-trimethylsilyloxybut-2-enoate

methyl 3-trimethylsilyloxybut-2-enoate (PubChem CID 2733746) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is methyl 3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl 3-trimethylsilyloxybut-2-enoate
PubChem CID2733746
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Namemethyl 3-trimethylsilyloxybut-2-enoate
SMILESCOC(=O)C=C(C)O[Si](C)(C)C
InChIInChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3
InChIKeyOQNKCUVOGBTGDJ-UHFFFAOYSA-N
XLogP1.91
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'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 methyl 3-trimethylsilyloxybut-2-enoate?
The IUPAC name of methyl 3-trimethylsilyloxybut-2-enoate (CID 2733746) is methyl 3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl 3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for methyl 3-trimethylsilyloxybut-2-enoate is COC(=O)C=C(C)O[Si](C)(C)C.
What is the InChIKey of methyl 3-trimethylsilyloxybut-2-enoate?
The InChIKey is OQNKCUVOGBTGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3.
What are the key properties of methyl 3-trimethylsilyloxybut-2-enoate?
methyl 3-trimethylsilyloxybut-2-enoate has a molecular weight of 188.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 2733746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).