silyl 2-oxobutanoate

C4H8O3Si — CID 123243658

IUPACsilyl 2-oxobutanoate
SMILESCCC(=O)C(=O)O[SiH3]
InChIInChI=1S/C4H8O3Si/c1-2-3(5)4(6)7-8/h2H2,1,8H3
InChIKeyMURQDHPLHNQYIR-UHFFFAOYSA-N
MW132.19 g/mol
LogP-1.21
Rot. Bonds2

About silyl 2-oxobutanoate

silyl 2-oxobutanoate (PubChem CID 123243658) has the molecular formula C4H8O3Si and a molecular weight of 132.19 g/mol. Its IUPAC name is silyl 2-oxobutanoate.

Molecular Properties

Compound Namesilyl 2-oxobutanoate
PubChem CID123243658
Molecular FormulaC4H8O3Si
Molecular Weight132.19 g/mol
Exact Mass132.02
IUPAC Namesilyl 2-oxobutanoate
SMILESCCC(=O)C(=O)O[SiH3]
InChIInChI=1S/C4H8O3Si/c1-2-3(5)4(6)7-8/h2H2,1,8H3
InChIKeyMURQDHPLHNQYIR-UHFFFAOYSA-N
XLogP-1.21
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.19
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of silyl 2-oxobutanoate?
The IUPAC name of silyl 2-oxobutanoate (CID 123243658) is silyl 2-oxobutanoate.
What is the SMILES notation for silyl 2-oxobutanoate?
The canonical SMILES for silyl 2-oxobutanoate is CCC(=O)C(=O)O[SiH3].
What is the InChIKey of silyl 2-oxobutanoate?
The InChIKey is MURQDHPLHNQYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O3Si/c1-2-3(5)4(6)7-8/h2H2,1,8H3.
What are the key properties of silyl 2-oxobutanoate?
silyl 2-oxobutanoate has a molecular weight of 132.19 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2-oxobutanoate is sourced from PubChem (CID 123243658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).