5-silylpent-4-yne-2-sulfonic acid

C5H10O3SSi — CID 158767942

IUPAC5-silylpent-4-yne-2-sulfonic acid
SMILESCC(CC#C[SiH3])S(=O)(=O)O
InChIInChI=1S/C5H10O3SSi/c1-5(3-2-4-10)9(6,7)8/h5H,3H2,1,10H3,(H,6,7,8)
InChIKeyIPMMKLVLAQTQHA-UHFFFAOYSA-N
MW178.28 g/mol
LogP-1.02
Rot. Bonds2

About 5-silylpent-4-yne-2-sulfonic acid

5-silylpent-4-yne-2-sulfonic acid (PubChem CID 158767942) has the molecular formula C5H10O3SSi and a molecular weight of 178.28 g/mol. Its IUPAC name is 5-silylpent-4-yne-2-sulfonic acid.

Molecular Properties

Compound Name5-silylpent-4-yne-2-sulfonic acid
PubChem CID158767942
Molecular FormulaC5H10O3SSi
Molecular Weight178.28 g/mol
Exact Mass178.01
IUPAC Name5-silylpent-4-yne-2-sulfonic acid
SMILESCC(CC#C[SiH3])S(=O)(=O)O
InChIInChI=1S/C5H10O3SSi/c1-5(3-2-4-10)9(6,7)8/h5H,3H2,1,10H3,(H,6,7,8)
InChIKeyIPMMKLVLAQTQHA-UHFFFAOYSA-N
XLogP-1.02
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-silylpent-4-yne-2-sulfonic acid?
The IUPAC name of 5-silylpent-4-yne-2-sulfonic acid (CID 158767942) is 5-silylpent-4-yne-2-sulfonic acid.
What is the SMILES notation for 5-silylpent-4-yne-2-sulfonic acid?
The canonical SMILES for 5-silylpent-4-yne-2-sulfonic acid is CC(CC#C[SiH3])S(=O)(=O)O.
What is the InChIKey of 5-silylpent-4-yne-2-sulfonic acid?
The InChIKey is IPMMKLVLAQTQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O3SSi/c1-5(3-2-4-10)9(6,7)8/h5H,3H2,1,10H3,(H,6,7,8).
What are the key properties of 5-silylpent-4-yne-2-sulfonic acid?
5-silylpent-4-yne-2-sulfonic acid has a molecular weight of 178.28 g/mol, XLogP of -1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-silylpent-4-yne-2-sulfonic acid is sourced from PubChem (CID 158767942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).