4-trimethylsilylbut-2-ynoic acid

C7H12O2Si — CID 11105603

IUPAC4-trimethylsilylbut-2-ynoic acid
SMILESC[Si](C)(C)CC#CC(=O)O
InChIInChI=1S/C7H12O2Si/c1-10(2,3)6-4-5-7(8)9/h6H2,1-3H3,(H,8,9)
InChIKeyVLWJBHHLVKUTKB-UHFFFAOYSA-N
MW156.26 g/mol
LogP1.41
Rot. Bonds1

About 4-trimethylsilylbut-2-ynoic acid

4-trimethylsilylbut-2-ynoic acid (PubChem CID 11105603) has the molecular formula C7H12O2Si and a molecular weight of 156.26 g/mol. Its IUPAC name is 4-trimethylsilylbut-2-ynoic acid.

Molecular Properties

Compound Name4-trimethylsilylbut-2-ynoic acid
PubChem CID11105603
Molecular FormulaC7H12O2Si
Molecular Weight156.26 g/mol
Exact Mass156.06
IUPAC Name4-trimethylsilylbut-2-ynoic acid
SMILESC[Si](C)(C)CC#CC(=O)O
InChIInChI=1S/C7H12O2Si/c1-10(2,3)6-4-5-7(8)9/h6H2,1-3H3,(H,8,9)
InChIKeyVLWJBHHLVKUTKB-UHFFFAOYSA-N
XLogP1.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.26
LogP ≤ 51.41
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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Related Compounds

3-trimethylsilylprop-2-ynoic acid
CID 2760863
3-trimethylsilyl(113C)prop-2-ynoic acid
CID 101015647
4-(dimethylamino)but-2-ynoic acid lithium hydride
CID 171035063
5-methoxypent-2-ynoic acid
CID 55302740
4-[(2-methylpropan-2-yl)oxy]but-2-ynoic acid
CID 112604298
5-silylpent-2-ynoic acid
CID 150837243
heptadec-2-ynoic acid
CID 22600366
potassium but-2-ynedioic acid
CID 18763942
5-trimethylsilylpenta-2,4-diynoic acid
CID 100996998
4-trimethylsilylbut-2-yn-1-amine
CID 55284601
3-chloroprop-2-ynoic acid
CID 20515258
magnesium;but-2-ynedioic acid;hydride
CID 173356014

Frequently Asked Questions

What is the IUPAC name of 4-trimethylsilylbut-2-ynoic acid?
The IUPAC name of 4-trimethylsilylbut-2-ynoic acid (CID 11105603) is 4-trimethylsilylbut-2-ynoic acid.
What is the SMILES notation for 4-trimethylsilylbut-2-ynoic acid?
The canonical SMILES for 4-trimethylsilylbut-2-ynoic acid is C[Si](C)(C)CC#CC(=O)O.
What is the InChIKey of 4-trimethylsilylbut-2-ynoic acid?
The InChIKey is VLWJBHHLVKUTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2Si/c1-10(2,3)6-4-5-7(8)9/h6H2,1-3H3,(H,8,9).
What are the key properties of 4-trimethylsilylbut-2-ynoic acid?
4-trimethylsilylbut-2-ynoic acid has a molecular weight of 156.26 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-trimethylsilylbut-2-ynoic acid is sourced from PubChem (CID 11105603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).