4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid

C10H18O5Si — CID 56986266

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)C(=O)O
InChIInChI=1S/C10H18O5Si/c1-10(2,3)16(4,5)15-6-7(11)8(12)9(13)14/h6H2,1-5H3,(H,13,14)
InChIKeyVMHNTIIUIBVEOC-UHFFFAOYSA-N
MW246.33 g/mol
LogP1.23
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid (PubChem CID 56986266) has the molecular formula C10H18O5Si and a molecular weight of 246.33 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid
PubChem CID56986266
Molecular FormulaC10H18O5Si
Molecular Weight246.33 g/mol
Exact Mass246.09
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(=O)C(=O)C(=O)O
InChIInChI=1S/C10H18O5Si/c1-10(2,3)16(4,5)15-6-7(11)8(12)9(13)14/h6H2,1-5H3,(H,13,14)
InChIKeyVMHNTIIUIBVEOC-UHFFFAOYSA-N
XLogP1.23
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'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 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid (CID 56986266) is 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid is CC(C)(C)[Si](C)(C)OCC(=O)C(=O)C(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid?
The InChIKey is VMHNTIIUIBVEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O5Si/c1-10(2,3)16(4,5)15-6-7(11)8(12)9(13)14/h6H2,1-5H3,(H,13,14).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid has a molecular weight of 246.33 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-2,3-dioxobutanoic acid is sourced from PubChem (CID 56986266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).