2-trimethylsilyl-2-trimethylsilyloxypropanoic acid

C9H22O3Si2 — CID 54097307

IUPAC2-trimethylsilyl-2-trimethylsilyloxypropanoic acid
SMILESCC(O[Si](C)(C)C)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-9(8(10)11,13(2,3)4)12-14(5,6)7/h1-7H3,(H,10,11)
InChIKeyMYAHINMTUGLXIJ-UHFFFAOYSA-N
MW234.44 g/mol
LogP2.56
Rot. Bonds4

About 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid

2-trimethylsilyl-2-trimethylsilyloxypropanoic acid (PubChem CID 54097307) has the molecular formula C9H22O3Si2 and a molecular weight of 234.44 g/mol. Its IUPAC name is 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid.

Molecular Properties

Compound Name2-trimethylsilyl-2-trimethylsilyloxypropanoic acid
PubChem CID54097307
Molecular FormulaC9H22O3Si2
Molecular Weight234.44 g/mol
Exact Mass234.11
IUPAC Name2-trimethylsilyl-2-trimethylsilyloxypropanoic acid
SMILESCC(O[Si](C)(C)C)(C(=O)O)[Si](C)(C)C
InChIInChI=1S/C9H22O3Si2/c1-9(8(10)11,13(2,3)4)12-14(5,6)7/h1-7H3,(H,10,11)
InChIKeyMYAHINMTUGLXIJ-UHFFFAOYSA-N
XLogP2.56
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.44
LogP ≤ 52.56
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-trimethylsilyl-2-trimethylsilyloxypropanoic acid?
The IUPAC name of 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid (CID 54097307) is 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid.
What is the SMILES notation for 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid?
The canonical SMILES for 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid is CC(O[Si](C)(C)C)(C(=O)O)[Si](C)(C)C.
What is the InChIKey of 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid?
The InChIKey is MYAHINMTUGLXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22O3Si2/c1-9(8(10)11,13(2,3)4)12-14(5,6)7/h1-7H3,(H,10,11).
What are the key properties of 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid?
2-trimethylsilyl-2-trimethylsilyloxypropanoic acid has a molecular weight of 234.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-trimethylsilyl-2-trimethylsilyloxypropanoic acid is sourced from PubChem (CID 54097307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).