2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid

C8H18O3Si — CID 12969226

IUPAC2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid
SMILESCC(C)(C)[Si](C)(C)C(O)C(=O)O
InChIInChI=1S/C8H18O3Si/c1-8(2,3)12(4,5)7(11)6(9)10/h7,11H,1-5H3,(H,9,10)
InChIKeyYKRWDXOUOAEZDY-UHFFFAOYSA-N
MW190.31 g/mol
LogP1.48
Rot. Bonds2

About 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid

2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid (PubChem CID 12969226) has the molecular formula C8H18O3Si and a molecular weight of 190.31 g/mol. Its IUPAC name is 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid
PubChem CID12969226
Molecular FormulaC8H18O3Si
Molecular Weight190.31 g/mol
Exact Mass190.10
IUPAC Name2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid
SMILESCC(C)(C)[Si](C)(C)C(O)C(=O)O
InChIInChI=1S/C8H18O3Si/c1-8(2,3)12(4,5)7(11)6(9)10/h7,11H,1-5H3,(H,9,10)
InChIKeyYKRWDXOUOAEZDY-UHFFFAOYSA-N
XLogP1.48
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.48
H-Bond Donors ≤ 52
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 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid?
The IUPAC name of 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid (CID 12969226) is 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid.
What is the SMILES notation for 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid?
The canonical SMILES for 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid is CC(C)(C)[Si](C)(C)C(O)C(=O)O.
What is the InChIKey of 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid?
The InChIKey is YKRWDXOUOAEZDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O3Si/c1-8(2,3)12(4,5)7(11)6(9)10/h7,11H,1-5H3,(H,9,10).
What are the key properties of 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid?
2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid has a molecular weight of 190.31 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[tert-butyl(dimethyl)silyl]-2-hydroxyacetic acid is sourced from PubChem (CID 12969226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).