2-trimethylsilyloxypropanoic acid

C6H14O3Si — CID 22987289

IUPAC2-trimethylsilyloxypropanoic acid
SMILESCC(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C6H14O3Si/c1-5(6(7)8)9-10(2,3)4/h5H,1-4H3,(H,7,8)
InChIKeyBGBHDKIZYLOUJG-UHFFFAOYSA-N
MW162.26 g/mol
LogP1.31
Rot. Bonds3

About 2-trimethylsilyloxypropanoic acid

2-trimethylsilyloxypropanoic acid (PubChem CID 22987289) has the molecular formula C6H14O3Si and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-trimethylsilyloxypropanoic acid.

Molecular Properties

Compound Name2-trimethylsilyloxypropanoic acid
PubChem CID22987289
Molecular FormulaC6H14O3Si
Molecular Weight162.26 g/mol
Exact Mass162.07
IUPAC Name2-trimethylsilyloxypropanoic acid
SMILESCC(O[Si](C)(C)C)C(=O)O
InChIInChI=1S/C6H14O3Si/c1-5(6(7)8)9-10(2,3)4/h5H,1-4H3,(H,7,8)
InChIKeyBGBHDKIZYLOUJG-UHFFFAOYSA-N
XLogP1.31
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 51.31
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 2-trimethylsilyloxypropanoic acid?
The IUPAC name of 2-trimethylsilyloxypropanoic acid (CID 22987289) is 2-trimethylsilyloxypropanoic acid.
What is the SMILES notation for 2-trimethylsilyloxypropanoic acid?
The canonical SMILES for 2-trimethylsilyloxypropanoic acid is CC(O[Si](C)(C)C)C(=O)O.
What is the InChIKey of 2-trimethylsilyloxypropanoic acid?
The InChIKey is BGBHDKIZYLOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3Si/c1-5(6(7)8)9-10(2,3)4/h5H,1-4H3,(H,7,8).
What are the key properties of 2-trimethylsilyloxypropanoic acid?
2-trimethylsilyloxypropanoic acid has a molecular weight of 162.26 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyloxypropanoic acid is sourced from PubChem (CID 22987289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).