3-[dimethyl(phenyl)silyl]prop-2-ynoic acid

C11H12O2Si — CID 14610762

IUPAC3-[dimethyl(phenyl)silyl]prop-2-ynoic acid
SMILESC[Si](C)(C#CC(=O)O)c1ccccc1
InChIInChI=1S/C11H12O2Si/c1-14(2,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyZVLBQAOMPDTJRG-UHFFFAOYSA-N
MW204.30 g/mol
LogP1.23
Rot. Bonds1

About 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid

3-[dimethyl(phenyl)silyl]prop-2-ynoic acid (PubChem CID 14610762) has the molecular formula C11H12O2Si and a molecular weight of 204.30 g/mol. Its IUPAC name is 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid.

Molecular Properties

Compound Name3-[dimethyl(phenyl)silyl]prop-2-ynoic acid
PubChem CID14610762
Molecular FormulaC11H12O2Si
Molecular Weight204.30 g/mol
Exact Mass204.06
IUPAC Name3-[dimethyl(phenyl)silyl]prop-2-ynoic acid
SMILESC[Si](C)(C#CC(=O)O)c1ccccc1
InChIInChI=1S/C11H12O2Si/c1-14(2,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13)
InChIKeyZVLBQAOMPDTJRG-UHFFFAOYSA-N
XLogP1.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.30
LogP ≤ 51.23
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'}

Analyze 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid?
The IUPAC name of 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid (CID 14610762) is 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid.
What is the SMILES notation for 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid?
The canonical SMILES for 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid is C[Si](C)(C#CC(=O)O)c1ccccc1.
What is the InChIKey of 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid?
The InChIKey is ZVLBQAOMPDTJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2Si/c1-14(2,9-8-11(12)13)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,12,13).
What are the key properties of 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid?
3-[dimethyl(phenyl)silyl]prop-2-ynoic acid has a molecular weight of 204.30 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dimethyl(phenyl)silyl]prop-2-ynoic acid is sourced from PubChem (CID 14610762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).