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

C11H21F3O3Si — CID 87445048

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
SMILESCC(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O3Si/c1-9(2,3)18(5,6)17-10(4,7-8(15)16)11(12,13)14/h7H2,1-6H3,(H,15,16)
InChIKeyHUBFIOJVHGDIFD-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.80
Rot. Bonds4

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

3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid (PubChem CID 87445048) has the molecular formula C11H21F3O3Si and a molecular weight of 286.37 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
PubChem CID87445048
Molecular FormulaC11H21F3O3Si
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
SMILESCC(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C11H21F3O3Si/c1-9(2,3)18(5,6)17-10(4,7-8(15)16)11(12,13)14/h7H2,1-6H3,(H,15,16)
InChIKeyHUBFIOJVHGDIFD-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 53.80
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 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid (CID 87445048) is 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid is CC(CC(=O)O)(O[Si](C)(C)C(C)(C)C)C(F)(F)F.
What is the InChIKey of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The InChIKey is HUBFIOJVHGDIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3Si/c1-9(2,3)18(5,6)17-10(4,7-8(15)16)11(12,13)14/h7H2,1-6H3,(H,15,16).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid is sourced from PubChem (CID 87445048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).