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

C11H21F3O3Si — CID 150285014

IUPAC2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
SMILESCC(C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(F)(F)F
InChIInChI=1S/C11H21F3O3Si/c1-7(11(12,13)14)8(9(15)16)17-18(5,6)10(2,3)4/h7-8H,1-6H3,(H,15,16)
InChIKeyGGJVJODSBRVBAF-UHFFFAOYSA-N
MW286.37 g/mol
LogP3.66
Rot. Bonds4

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

2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid (PubChem CID 150285014) has the molecular formula C11H21F3O3Si and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
PubChem CID150285014
Molecular FormulaC11H21F3O3Si
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid
SMILESCC(C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(F)(F)F
InChIInChI=1S/C11H21F3O3Si/c1-7(11(12,13)14)8(9(15)16)17-18(5,6)10(2,3)4/h7-8H,1-6H3,(H,15,16)
InChIKeyGGJVJODSBRVBAF-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-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

Related Compounds

(2S)-2-[tert-butyl(dimethyl)silyl]oxy-3-methylbutanoic acid
CID 11064310
(2S)-2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 15724589
2-Hydroxy-3-methylbutyric acid, TBDMS
CID 91752566
2-Hydroxybutyric acid, TBDMS
CID 91752568
2-{[tert-Butyl(dimethyl)silyl]oxy}-3-methylbutanoic acid
CID 14358765
(R)-2-(tert-butyldimethylsilyloxy)-3-methylbutanoic acid
CID 14358766
2-[Butyl(dimethyl)silyl]oxybutanoic acid
CID 17995460
2-[Tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 18942819
2-[Dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-3-methylbutanoic acid
CID 21934244
2-Triethylsilyloxybutanoic acid
CID 57194629
(2R)-2-[tert-butyl(dimethyl)silyl]oxybutanoic acid
CID 87507546
(2S)-2-[dimethyl-[(2-methylpropan-2-yl)oxy]silyl]oxy-3-methylbutanoic acid
CID 87632281

Frequently Asked Questions

What is the IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid (CID 150285014) is 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid is CC(C(O[Si](C)(C)C(C)(C)C)C(=O)O)C(F)(F)F.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
The InChIKey is GGJVJODSBRVBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3O3Si/c1-7(11(12,13)14)8(9(15)16)17-18(5,6)10(2,3)4/h7-8H,1-6H3,(H,15,16).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid?
2-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluoro-3-methylbutanoic acid has a molecular weight of 286.37 g/mol, XLogP of 3.66, 4 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-4,4,4-trifluoro-3-methylbutanoic acid is sourced from PubChem (CID 150285014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).