2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid

C12H23F3O3Si — CID 142800887

IUPAC2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-9(10(16)17)6-7-12(13,14)15/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyVXXKMSFOAMIFAL-UHFFFAOYSA-N
MW300.39 g/mol
LogP4.05
Rot. Bonds6

About 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid

2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid (PubChem CID 142800887) has the molecular formula C12H23F3O3Si and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid.

Molecular Properties

Compound Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
PubChem CID142800887
Molecular FormulaC12H23F3O3Si
Molecular Weight300.39 g/mol
Exact Mass300.14
IUPAC Name2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid
SMILESCC(C)(C)[Si](C)(C)OCC(CCC(F)(F)F)C(=O)O
InChIInChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-9(10(16)17)6-7-12(13,14)15/h9H,6-8H2,1-5H3,(H,16,17)
InChIKeyVXXKMSFOAMIFAL-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-[tert-butyl(dimethyl)silyl]oxy-2-methylpentanoic acid
CID 10868598
3-[Tert-butyl(dimethyl)silyl]oxy-5,5,5-trifluoro-4,4-dimethylpentanoic acid
CID 172804838
2-(1-Triethoxysilylpropyl)propanedioic acid
CID 19077993
3-[Tert-butyl(dimethyl)silyl]oxy-4-methylpentanoic acid
CID 87444860
2-(3-Triethoxysilylpropyl)propanedioic acid
CID 88391662
2-[3-[Diethoxy(methyl)silyl]propyl]propanedioic acid
CID 88420018
3-[Tert-butyl(dimethyl)silyl]oxy-2-cyclopropylpropanoic acid
CID 140678736
2-[[Tert-butyl(dimethyl)silyl]oxymethyl]pentanoic acid
CID 142800885
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid?
The IUPAC name of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid (CID 142800887) is 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid.
What is the SMILES notation for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid?
The canonical SMILES for 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid is CC(C)(C)[Si](C)(C)OCC(CCC(F)(F)F)C(=O)O.
What is the InChIKey of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid?
The InChIKey is VXXKMSFOAMIFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3O3Si/c1-11(2,3)19(4,5)18-8-9(10(16)17)6-7-12(13,14)15/h9H,6-8H2,1-5H3,(H,16,17).
What are the key properties of 2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid?
2-[[tert-butyl(dimethyl)silyl]oxymethyl]-5,5,5-trifluoropentanoic acid has a molecular weight of 300.39 g/mol, XLogP of 4.05, 6 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]oxymethyl]-5,5,5-trifluoropentanoic acid is sourced from PubChem (CID 142800887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).