trimethylsilylformic acid

C4H10O2Si — CID 19885609

IUPACtrimethylsilylformic acid
SMILESC[Si](C)(C)C(=O)O
InChIInChI=1S/C4H10O2Si/c1-7(2,3)4(5)6/h1-3H3,(H,5,6)
InChIKeyMBHJFHKNCUQKCQ-UHFFFAOYSA-N
MW118.21 g/mol
LogP1.58
Rot. Bonds1

About trimethylsilylformic acid

trimethylsilylformic acid (PubChem CID 19885609) has the molecular formula C4H10O2Si and a molecular weight of 118.21 g/mol. Its IUPAC name is trimethylsilylformic acid.

Molecular Properties

Compound Nametrimethylsilylformic acid
PubChem CID19885609
Molecular FormulaC4H10O2Si
Molecular Weight118.21 g/mol
Exact Mass118.05
IUPAC Nametrimethylsilylformic acid
SMILESC[Si](C)(C)C(=O)O
InChIInChI=1S/C4H10O2Si/c1-7(2,3)4(5)6/h1-3H3,(H,5,6)
InChIKeyMBHJFHKNCUQKCQ-UHFFFAOYSA-N
XLogP1.58
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.21
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 trimethylsilylformic acid?
The IUPAC name of trimethylsilylformic acid (CID 19885609) is trimethylsilylformic acid.
What is the SMILES notation for trimethylsilylformic acid?
The canonical SMILES for trimethylsilylformic acid is C[Si](C)(C)C(=O)O.
What is the InChIKey of trimethylsilylformic acid?
The InChIKey is MBHJFHKNCUQKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O2Si/c1-7(2,3)4(5)6/h1-3H3,(H,5,6).
What are the key properties of trimethylsilylformic acid?
trimethylsilylformic acid has a molecular weight of 118.21 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trimethylsilylformic acid is sourced from PubChem (CID 19885609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).