3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid

C13H25F3O3Si — CID 172804838

IUPAC3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3O3Si/c1-11(2,3)20(6,7)19-9(8-10(17)18)12(4,5)13(14,15)16/h9H,8H2,1-7H3,(H,17,18)
InChIKeyRJDFLVABMRVBQL-UHFFFAOYSA-N
MW314.42 g/mol
LogP4.44
Rot. Bonds5

About 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid

3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid (PubChem CID 172804838) has the molecular formula C13H25F3O3Si and a molecular weight of 314.42 g/mol. Its IUPAC name is 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid
PubChem CID172804838
Molecular FormulaC13H25F3O3Si
Molecular Weight314.42 g/mol
Exact Mass314.15
IUPAC Name3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid
SMILESCC(C)(C(CC(=O)O)O[Si](C)(C)C(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3O3Si/c1-11(2,3)20(6,7)19-9(8-10(17)18)12(4,5)13(14,15)16/h9H,8H2,1-7H3,(H,17,18)
InChIKeyRJDFLVABMRVBQL-UHFFFAOYSA-N
XLogP4.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic 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,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
3-[Tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 21838741
(3R)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 88298854
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
CID 142800887
(3S)-3-[tert-butyl(dimethyl)silyl]oxy-4,4,4-trifluorobutanoic acid
CID 163274361
1-[1-[Tert-butyl(dimethyl)silyl]oxypropyl]cyclopropane-1-carboxylic acid
CID 69958402
3-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 87444860
(2R,3S)-2-methyl-3-triethylsilyloxypentanoic acid
CID 150434747
(2S,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylpentanoic acid
CID 160259216
2-Methyl-3-triethylsilyloxypentanoic acid
CID 173830995
(2R)-2-methyl-3-triethylsilyloxypentanoic acid
CID 173944361
2-[Tert-butyl(dimethyl)silyl]oxy-1-methylcyclobutane-1-carboxylic acid
CID 175398505

Frequently Asked Questions

What is the IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid?
The IUPAC name of 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid (CID 172804838) is 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid.
What is the SMILES notation for 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid?
The canonical SMILES for 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid is CC(C)(C(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-5,5,5-trifluoro-4,4-dimethylpentanoic acid?
The InChIKey is RJDFLVABMRVBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3O3Si/c1-11(2,3)20(6,7)19-9(8-10(17)18)12(4,5)13(14,15)16/h9H,8H2,1-7H3,(H,17,18).
What are the key properties of 3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid?
3-[tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid has a molecular weight of 314.42 g/mol, XLogP of 4.44, 5 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-5,5,5-trifluoro-4,4-dimethylpentanoic acid is sourced from PubChem (CID 172804838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).