potassium 8-butylnaphthalene-2-sulfonate

C14H15KO3S — CID 101317133

IUPACpotassium 8-butylnaphthalene-2-sulfonate
SMILESCCCCc1cccc2ccc(S(=O)(=O)[O-])cc12.[K+]
InChIInChI=1S/C14H16O3S.K/c1-2-3-5-11-6-4-7-12-8-9-13(10-14(11)12)18(15,16)17;/h4,6-10H,2-3,5H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyHALZIEXZIKAOCV-UHFFFAOYSA-M
MW302.44 g/mol
LogP0.09
Rot. Bonds4

About potassium 8-butylnaphthalene-2-sulfonate

potassium 8-butylnaphthalene-2-sulfonate (PubChem CID 101317133) has the molecular formula C14H15KO3S and a molecular weight of 302.44 g/mol. Its IUPAC name is potassium 8-butylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 8-butylnaphthalene-2-sulfonate
PubChem CID101317133
Molecular FormulaC14H15KO3S
Molecular Weight302.44 g/mol
Exact Mass302.04
IUPAC Namepotassium 8-butylnaphthalene-2-sulfonate
SMILESCCCCc1cccc2ccc(S(=O)(=O)[O-])cc12.[K+]
InChIInChI=1S/C14H16O3S.K/c1-2-3-5-11-6-4-7-12-8-9-13(10-14(11)12)18(15,16)17;/h4,6-10H,2-3,5H2,1H3,(H,15,16,17);/q;+1/p-1
InChIKeyHALZIEXZIKAOCV-UHFFFAOYSA-M
XLogP0.09
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 50.09
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-tetradecylnaphthalene-2-sulfonate
CID 101317264
potassium 6,8-dibutylnaphthalene-2-sulfonate
CID 101323922
sodium 3,8-dibutylnaphthalene-2-sulfonate
CID 101324984
calcium bis(3,8-dibutylnaphthalene-2-sulfonate)
CID 101325277
8-decylnaphthalene-2-sulfonic acid
CID 101315066
potassium 5,8-dihexylnaphthalene-2-sulfonate
CID 101323985
potassium 7,8-didodecylnaphthalene-2-sulfonate
CID 101324114
sodium 4,5-dibutylnaphthalene-2-sulfonate
CID 101324985
sodium 4,8-dipentylnaphthalene-2-sulfonate
CID 101325008
potassium 5,6-dibutylnaphthalene-2-sulfonate
CID 101323916
barium(2+);bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101319618
calcium bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101325446

Frequently Asked Questions

What is the IUPAC name of potassium 8-butylnaphthalene-2-sulfonate?
The IUPAC name of potassium 8-butylnaphthalene-2-sulfonate (CID 101317133) is potassium 8-butylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 8-butylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 8-butylnaphthalene-2-sulfonate is CCCCc1cccc2ccc(S(=O)(=O)[O-])cc12.[K+].
What is the InChIKey of potassium 8-butylnaphthalene-2-sulfonate?
The InChIKey is HALZIEXZIKAOCV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16O3S.K/c1-2-3-5-11-6-4-7-12-8-9-13(10-14(11)12)18(15,16)17;/h4,6-10H,2-3,5H2,1H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 8-butylnaphthalene-2-sulfonate?
potassium 8-butylnaphthalene-2-sulfonate has a molecular weight of 302.44 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 8-butylnaphthalene-2-sulfonate is sourced from PubChem (CID 101317133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).