potassium 5,6-diethylnaphthalene-1-sulfonate

C14H15KO3S — CID 101322426

IUPACpotassium 5,6-diethylnaphthalene-1-sulfonate
SMILESCCc1ccc2c(S(=O)(=O)[O-])cccc2c1CC.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-8-9-13-12(11(10)4-2)6-5-7-14(13)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyUQAJYNXGNWDZRZ-UHFFFAOYSA-M
MW302.44 g/mol
LogP-0.13
Rot. Bonds3

About potassium 5,6-diethylnaphthalene-1-sulfonate

potassium 5,6-diethylnaphthalene-1-sulfonate (PubChem CID 101322426) has the molecular formula C14H15KO3S and a molecular weight of 302.44 g/mol. Its IUPAC name is potassium 5,6-diethylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 5,6-diethylnaphthalene-1-sulfonate
PubChem CID101322426
Molecular FormulaC14H15KO3S
Molecular Weight302.44 g/mol
Exact Mass302.04
IUPAC Namepotassium 5,6-diethylnaphthalene-1-sulfonate
SMILESCCc1ccc2c(S(=O)(=O)[O-])cccc2c1CC.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-8-9-13-12(11(10)4-2)6-5-7-14(13)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyUQAJYNXGNWDZRZ-UHFFFAOYSA-M
XLogP-0.13
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.44
LogP ≤ 5-0.13
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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Frequently Asked Questions

What is the IUPAC name of potassium 5,6-diethylnaphthalene-1-sulfonate?
The IUPAC name of potassium 5,6-diethylnaphthalene-1-sulfonate (CID 101322426) is potassium 5,6-diethylnaphthalene-1-sulfonate.
What is the SMILES notation for potassium 5,6-diethylnaphthalene-1-sulfonate?
The canonical SMILES for potassium 5,6-diethylnaphthalene-1-sulfonate is CCc1ccc2c(S(=O)(=O)[O-])cccc2c1CC.[K+].
What is the InChIKey of potassium 5,6-diethylnaphthalene-1-sulfonate?
The InChIKey is UQAJYNXGNWDZRZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16O3S.K/c1-3-10-8-9-13-12(11(10)4-2)6-5-7-14(13)18(15,16)17;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 5,6-diethylnaphthalene-1-sulfonate?
potassium 5,6-diethylnaphthalene-1-sulfonate has a molecular weight of 302.44 g/mol, XLogP of -0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5,6-diethylnaphthalene-1-sulfonate is sourced from PubChem (CID 101322426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).