potassium 5,6-dibutylnaphthalene-2-sulfonate

C18H23KO3S — CID 101323916

IUPACpotassium 5,6-dibutylnaphthalene-2-sulfonate
SMILESCCCCc1ccc2cc(S(=O)(=O)[O-])ccc2c1CCCC.[K+]
InChIInChI=1S/C18H24O3S.K/c1-3-5-7-14-9-10-15-13-16(22(19,20)21)11-12-18(15)17(14)8-6-4-2;/h9-13H,3-8H2,1-2H3,(H,19,20,21);/q;+1/p-1
InChIKeyXXAAEOKQWIEBEA-UHFFFAOYSA-M
MW358.54 g/mol
LogP1.43
Rot. Bonds7

About potassium 5,6-dibutylnaphthalene-2-sulfonate

potassium 5,6-dibutylnaphthalene-2-sulfonate (PubChem CID 101323916) has the molecular formula C18H23KO3S and a molecular weight of 358.54 g/mol. Its IUPAC name is potassium 5,6-dibutylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 5,6-dibutylnaphthalene-2-sulfonate
PubChem CID101323916
Molecular FormulaC18H23KO3S
Molecular Weight358.54 g/mol
Exact Mass358.10
IUPAC Namepotassium 5,6-dibutylnaphthalene-2-sulfonate
SMILESCCCCc1ccc2cc(S(=O)(=O)[O-])ccc2c1CCCC.[K+]
InChIInChI=1S/C18H24O3S.K/c1-3-5-7-14-9-10-15-13-16(22(19,20)21)11-12-18(15)17(14)8-6-4-2;/h9-13H,3-8H2,1-2H3,(H,19,20,21);/q;+1/p-1
InChIKeyXXAAEOKQWIEBEA-UHFFFAOYSA-M
XLogP1.43
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 5,6-di(tetradecyl)naphthalene-2-sulfonate
CID 101324151
calcium bis(5,6-di(tetradecyl)naphthalene-2-sulfonate)
CID 101325489
sodium 5,6-dioctylnaphthalene-2-sulfonate
CID 101325072
sodium 5,6-dihexylnaphthalene-2-sulfonate
CID 101325030
potassium 7,8-didodecylnaphthalene-2-sulfonate
CID 101324114
5,6-di(pentadecyl)naphthalene-2-sulfonic acid
CID 101319747
5,6-di(undecyl)naphthalene-2-sulfonic acid
CID 101319581
5,6-di(heptadecyl)naphthalene-2-sulfonic acid
CID 101319831
potassium 6,8-dibutylnaphthalene-2-sulfonate
CID 101323922
potassium 8-butylnaphthalene-2-sulfonate
CID 101317133
potassium 5-tetradecylnaphthalene-2-sulfonate
CID 101317264
potassium 6,7-di(undecyl)naphthalene-2-sulfonate
CID 101324091

Frequently Asked Questions

What is the IUPAC name of potassium 5,6-dibutylnaphthalene-2-sulfonate?
The IUPAC name of potassium 5,6-dibutylnaphthalene-2-sulfonate (CID 101323916) is potassium 5,6-dibutylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 5,6-dibutylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 5,6-dibutylnaphthalene-2-sulfonate is CCCCc1ccc2cc(S(=O)(=O)[O-])ccc2c1CCCC.[K+].
What is the InChIKey of potassium 5,6-dibutylnaphthalene-2-sulfonate?
The InChIKey is XXAAEOKQWIEBEA-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24O3S.K/c1-3-5-7-14-9-10-15-13-16(22(19,20)21)11-12-18(15)17(14)8-6-4-2;/h9-13H,3-8H2,1-2H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of potassium 5,6-dibutylnaphthalene-2-sulfonate?
potassium 5,6-dibutylnaphthalene-2-sulfonate has a molecular weight of 358.54 g/mol, XLogP of 1.43, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5,6-dibutylnaphthalene-2-sulfonate is sourced from PubChem (CID 101323916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).