5-silylpent-2-ynoic acid

C5H8O2Si — CID 150837243

IUPAC5-silylpent-2-ynoic acid
SMILESO=C(O)C#CCC[SiH3]
InChIInChI=1S/C5H8O2Si/c6-5(7)3-1-2-4-8/h2,4H2,8H3,(H,6,7)
InChIKeyKNFWCSVFGRAXIC-UHFFFAOYSA-N
MW128.20 g/mol
LogP-0.75
Rot. Bonds1

About 5-silylpent-2-ynoic acid

5-silylpent-2-ynoic acid (PubChem CID 150837243) has the molecular formula C5H8O2Si and a molecular weight of 128.20 g/mol. Its IUPAC name is 5-silylpent-2-ynoic acid.

Molecular Properties

Compound Name5-silylpent-2-ynoic acid
PubChem CID150837243
Molecular FormulaC5H8O2Si
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name5-silylpent-2-ynoic acid
SMILESO=C(O)C#CCC[SiH3]
InChIInChI=1S/C5H8O2Si/c6-5(7)3-1-2-4-8/h2,4H2,8H3,(H,6,7)
InChIKeyKNFWCSVFGRAXIC-UHFFFAOYSA-N
XLogP-0.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 5-0.75
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

5-methoxypent-2-ynoic acid
CID 55302740
heptadec-2-ynoic acid
CID 22600366
10-methoxydec-2-ynoic acid
CID 134919071
undec-10-en-2-ynoic acid
CID 134988381
6-ethoxyhex-2-ynoic acid
CID 13149575
potassium but-2-ynedioic acid
CID 18763942
4-trimethylsilylbut-2-ynoic acid
CID 11105603
10-oxohexadec-2-ynoic acid
CID 123950800
4-carboxybut-3-ynyl(triphenyl)phosphanium
CID 21425045
CID 91986678
CID 91986678
4-(dimethylamino)but-2-ynoic acid lithium hydride
CID 171035063
6-hept-2-ynyltrideca-2,8-diynoic acid
CID 132537408

Frequently Asked Questions

What is the IUPAC name of 5-silylpent-2-ynoic acid?
The IUPAC name of 5-silylpent-2-ynoic acid (CID 150837243) is 5-silylpent-2-ynoic acid.
What is the SMILES notation for 5-silylpent-2-ynoic acid?
The canonical SMILES for 5-silylpent-2-ynoic acid is O=C(O)C#CCC[SiH3].
What is the InChIKey of 5-silylpent-2-ynoic acid?
The InChIKey is KNFWCSVFGRAXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O2Si/c6-5(7)3-1-2-4-8/h2,4H2,8H3,(H,6,7).
What are the key properties of 5-silylpent-2-ynoic acid?
5-silylpent-2-ynoic acid has a molecular weight of 128.20 g/mol, XLogP of -0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-silylpent-2-ynoic acid is sourced from PubChem (CID 150837243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).