4-methyl-4-silylpent-2-ene-1-sulfonic acid

C6H14O3SSi — CID 152752589

IUPAC4-methyl-4-silylpent-2-ene-1-sulfonic acid
SMILESCC(C)([SiH3])C=CCS(=O)(=O)O
InChIInChI=1S/C6H14O3SSi/c1-6(2,11)4-3-5-10(7,8)9/h3-4H,5H2,1-2,11H3,(H,7,8,9)
InChIKeyOAANXEDEIPMYRA-UHFFFAOYSA-N
MW194.33 g/mol
LogP-0.01
Rot. Bonds3

About 4-methyl-4-silylpent-2-ene-1-sulfonic acid

4-methyl-4-silylpent-2-ene-1-sulfonic acid (PubChem CID 152752589) has the molecular formula C6H14O3SSi and a molecular weight of 194.33 g/mol. Its IUPAC name is 4-methyl-4-silylpent-2-ene-1-sulfonic acid.

Molecular Properties

Compound Name4-methyl-4-silylpent-2-ene-1-sulfonic acid
PubChem CID152752589
Molecular FormulaC6H14O3SSi
Molecular Weight194.33 g/mol
Exact Mass194.04
IUPAC Name4-methyl-4-silylpent-2-ene-1-sulfonic acid
SMILESCC(C)([SiH3])C=CCS(=O)(=O)O
InChIInChI=1S/C6H14O3SSi/c1-6(2,11)4-3-5-10(7,8)9/h3-4H,5H2,1-2,11H3,(H,7,8,9)
InChIKeyOAANXEDEIPMYRA-UHFFFAOYSA-N
XLogP-0.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.33
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylpent-2-ene-1-sulfonic acid
CID 88707577
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
phosphane;prop-2-ene-1-sulfonic acid
CID 87475193
2-hydroxy-2-methylpropane-1-sulfonic acid
CID 18457605
nickel;prop-2-ene-1-sulfonic acid
CID 87111330
2,2-dihydroxypropane-1-sulfonic acid
CID 141290774
2,2-dimethyl-3-oxopent-4-ene-1-sulfonic acid
CID 18324556
(E)-4-amino-4-oxobut-2-ene-1-sulfonic acid
CID 87656174
2-(dichloroamino)-2-methylpropane-1-sulfonic acid
CID 11708365
2-(diiodoamino)-2-methylpropane-1-sulfonic acid
CID 138539533
ethenol;prop-2-ene-1-sulfonic acid
CID 174528992
cesium;hydride;prop-2-ene-1-sulfonic acid
CID 173073935

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-silylpent-2-ene-1-sulfonic acid?
The IUPAC name of 4-methyl-4-silylpent-2-ene-1-sulfonic acid (CID 152752589) is 4-methyl-4-silylpent-2-ene-1-sulfonic acid.
What is the SMILES notation for 4-methyl-4-silylpent-2-ene-1-sulfonic acid?
The canonical SMILES for 4-methyl-4-silylpent-2-ene-1-sulfonic acid is CC(C)([SiH3])C=CCS(=O)(=O)O.
What is the InChIKey of 4-methyl-4-silylpent-2-ene-1-sulfonic acid?
The InChIKey is OAANXEDEIPMYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O3SSi/c1-6(2,11)4-3-5-10(7,8)9/h3-4H,5H2,1-2,11H3,(H,7,8,9).
What are the key properties of 4-methyl-4-silylpent-2-ene-1-sulfonic acid?
4-methyl-4-silylpent-2-ene-1-sulfonic acid has a molecular weight of 194.33 g/mol, XLogP of -0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-silylpent-2-ene-1-sulfonic acid is sourced from PubChem (CID 152752589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).