2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid

C10H22O3Si — CID 86184106

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-9(2,3)14(6,7)13-10(4,5)8(11)12/h1-7H3,(H,11,12)
InChIKeyQBBNKTSWBCLIKW-UHFFFAOYSA-N
MW218.37 g/mol
LogP2.87
Rot. Bonds3

About 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid

2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid (PubChem CID 86184106) has the molecular formula C10H22O3Si and a molecular weight of 218.37 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
PubChem CID86184106
Molecular FormulaC10H22O3Si
Molecular Weight218.37 g/mol
Exact Mass218.13
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid
SMILESCC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O
InChIInChI=1S/C10H22O3Si/c1-9(2,3)14(6,7)13-10(4,5)8(11)12/h1-7H3,(H,11,12)
InChIKeyQBBNKTSWBCLIKW-UHFFFAOYSA-N
XLogP2.87
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid (CID 86184106) is 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid is CC(C)(O[Si](C)(C)C(C)(C)C)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid?
The InChIKey is QBBNKTSWBCLIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O3Si/c1-9(2,3)14(6,7)13-10(4,5)8(11)12/h1-7H3,(H,11,12).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid has a molecular weight of 218.37 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 86184106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).