4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid

C11H24O3Si — CID 86063172

IUPAC4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
SMILESCC(CO[Si](C)(C)C(C)(C)C)CC(=O)O
InChIInChI=1S/C11H24O3Si/c1-9(7-10(12)13)8-14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13)
InChIKeyXFYNYWKMTJAOOO-UHFFFAOYSA-N
MW232.40 g/mol
LogP3.12
Rot. Bonds5

About 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid

4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid (PubChem CID 86063172) has the molecular formula C11H24O3Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid.

Molecular Properties

Compound Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
PubChem CID86063172
Molecular FormulaC11H24O3Si
Molecular Weight232.40 g/mol
Exact Mass232.15
IUPAC Name4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
SMILESCC(CO[Si](C)(C)C(C)(C)C)CC(=O)O
InChIInChI=1S/C11H24O3Si/c1-9(7-10(12)13)8-14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13)
InChIKeyXFYNYWKMTJAOOO-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The IUPAC name of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid (CID 86063172) is 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid.
What is the SMILES notation for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The canonical SMILES for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid is CC(CO[Si](C)(C)C(C)(C)C)CC(=O)O.
What is the InChIKey of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
The InChIKey is XFYNYWKMTJAOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24O3Si/c1-9(7-10(12)13)8-14-15(5,6)11(2,3)4/h9H,7-8H2,1-6H3,(H,12,13).
What are the key properties of 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid?
4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid has a molecular weight of 232.40 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid is sourced from PubChem (CID 86063172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).