1-trimethylsilylnaphthalene-2-sulfonic acid

C13H16O3SSi — CID 158918088

IUPAC1-trimethylsilylnaphthalene-2-sulfonic acid
SMILESC[Si](C)(C)c1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C13H16O3SSi/c1-18(2,3)13-11-7-5-4-6-10(11)8-9-12(13)17(14,15)16/h4-9H,1-3H3,(H,14,15,16)
InChIKeyJHMIDCJZYXVXSF-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.63
Rot. Bonds2

About 1-trimethylsilylnaphthalene-2-sulfonic acid

1-trimethylsilylnaphthalene-2-sulfonic acid (PubChem CID 158918088) has the molecular formula C13H16O3SSi and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-trimethylsilylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name1-trimethylsilylnaphthalene-2-sulfonic acid
PubChem CID158918088
Molecular FormulaC13H16O3SSi
Molecular Weight280.42 g/mol
Exact Mass280.06
IUPAC Name1-trimethylsilylnaphthalene-2-sulfonic acid
SMILESC[Si](C)(C)c1c(S(=O)(=O)O)ccc2ccccc12
InChIInChI=1S/C13H16O3SSi/c1-18(2,3)13-11-7-5-4-6-10(11)8-9-12(13)17(14,15)16/h4-9H,1-3H3,(H,14,15,16)
InChIKeyJHMIDCJZYXVXSF-UHFFFAOYSA-N
XLogP2.63
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.63
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'}

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Frequently Asked Questions

What is the IUPAC name of 1-trimethylsilylnaphthalene-2-sulfonic acid?
The IUPAC name of 1-trimethylsilylnaphthalene-2-sulfonic acid (CID 158918088) is 1-trimethylsilylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 1-trimethylsilylnaphthalene-2-sulfonic acid?
The canonical SMILES for 1-trimethylsilylnaphthalene-2-sulfonic acid is C[Si](C)(C)c1c(S(=O)(=O)O)ccc2ccccc12.
What is the InChIKey of 1-trimethylsilylnaphthalene-2-sulfonic acid?
The InChIKey is JHMIDCJZYXVXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3SSi/c1-18(2,3)13-11-7-5-4-6-10(11)8-9-12(13)17(14,15)16/h4-9H,1-3H3,(H,14,15,16).
What are the key properties of 1-trimethylsilylnaphthalene-2-sulfonic acid?
1-trimethylsilylnaphthalene-2-sulfonic acid has a molecular weight of 280.42 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trimethylsilylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 158918088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).