methyl (E)-3-trimethylsilyloxybut-2-enoate

C8H16O3Si — CID 6115690

IUPACmethyl (E)-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/b7-6+
InChIKeyOQNKCUVOGBTGDJ-VOTSOKGWSA-N
MW188.30 g/mol
LogP1.91
Rot. Bonds3

About methyl (E)-3-trimethylsilyloxybut-2-enoate

methyl (E)-3-trimethylsilyloxybut-2-enoate (PubChem CID 6115690) has the molecular formula C8H16O3Si and a molecular weight of 188.30 g/mol. Its IUPAC name is methyl (E)-3-trimethylsilyloxybut-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-trimethylsilyloxybut-2-enoate
PubChem CID6115690
Molecular FormulaC8H16O3Si
Molecular Weight188.30 g/mol
Exact Mass188.09
IUPAC Namemethyl (E)-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/b7-6+
InChIKeyOQNKCUVOGBTGDJ-VOTSOKGWSA-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 (E)-3-trimethylsilyloxybut-2-enoate?
The IUPAC name of methyl (E)-3-trimethylsilyloxybut-2-enoate (CID 6115690) is methyl (E)-3-trimethylsilyloxybut-2-enoate.
What is the SMILES notation for methyl (E)-3-trimethylsilyloxybut-2-enoate?
The canonical SMILES for methyl (E)-3-trimethylsilyloxybut-2-enoate is COC(=O)/C=C(\C)O[Si](C)(C)C.
What is the InChIKey of methyl (E)-3-trimethylsilyloxybut-2-enoate?
The InChIKey is OQNKCUVOGBTGDJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H16O3Si/c1-7(6-8(9)10-2)11-12(3,4)5/h6H,1-5H3/b7-6+.
What are the key properties of methyl (E)-3-trimethylsilyloxybut-2-enoate?
methyl (E)-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 (E)-3-trimethylsilyloxybut-2-enoate is sourced from PubChem (CID 6115690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).