3-trimethylsilylprop-2-ynoic acid

C6H10O2Si — CID 2760863

IUPAC3-trimethylsilylprop-2-ynoic acid
SMILESC[Si](C)(C)C#CC(=O)O
InChIInChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)
InChIKeyIPEATTYBFBRNEB-UHFFFAOYSA-N
MW142.23 g/mol
LogP0.95
Rot. Bonds

About 3-trimethylsilylprop-2-ynoic acid

3-trimethylsilylprop-2-ynoic acid (PubChem CID 2760863) has the molecular formula C6H10O2Si and a molecular weight of 142.23 g/mol. Its IUPAC name is 3-trimethylsilylprop-2-ynoic acid.

Molecular Properties

Compound Name3-trimethylsilylprop-2-ynoic acid
PubChem CID2760863
Molecular FormulaC6H10O2Si
Molecular Weight142.23 g/mol
Exact Mass142.05
IUPAC Name3-trimethylsilylprop-2-ynoic acid
SMILESC[Si](C)(C)C#CC(=O)O
InChIInChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8)
InChIKeyIPEATTYBFBRNEB-UHFFFAOYSA-N
XLogP0.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.23
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-trimethylsilylprop-2-ynoic acid?
The IUPAC name of 3-trimethylsilylprop-2-ynoic acid (CID 2760863) is 3-trimethylsilylprop-2-ynoic acid.
What is the SMILES notation for 3-trimethylsilylprop-2-ynoic acid?
The canonical SMILES for 3-trimethylsilylprop-2-ynoic acid is C[Si](C)(C)C#CC(=O)O.
What is the InChIKey of 3-trimethylsilylprop-2-ynoic acid?
The InChIKey is IPEATTYBFBRNEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2Si/c1-9(2,3)5-4-6(7)8/h1-3H3,(H,7,8).
What are the key properties of 3-trimethylsilylprop-2-ynoic acid?
3-trimethylsilylprop-2-ynoic acid has a molecular weight of 142.23 g/mol, XLogP of 0.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-trimethylsilylprop-2-ynoic acid is sourced from PubChem (CID 2760863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).