potassium 3,4-diethylnaphthalene-1-sulfonate

C14H15KO3S — CID 101322408

IUPACpotassium 3,4-diethylnaphthalene-1-sulfonate
SMILESCCc1cc(S(=O)(=O)[O-])c2ccccc2c1CC.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-9-14(18(15,16)17)13-8-6-5-7-12(13)11(10)4-2;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyUMKLWWWIIZQDCO-UHFFFAOYSA-M
MW302.44 g/mol
LogP-0.13
Rot. Bonds3

About potassium 3,4-diethylnaphthalene-1-sulfonate

potassium 3,4-diethylnaphthalene-1-sulfonate (PubChem CID 101322408) has the molecular formula C14H15KO3S and a molecular weight of 302.44 g/mol. Its IUPAC name is potassium 3,4-diethylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 3,4-diethylnaphthalene-1-sulfonate
PubChem CID101322408
Molecular FormulaC14H15KO3S
Molecular Weight302.44 g/mol
Exact Mass302.04
IUPAC Namepotassium 3,4-diethylnaphthalene-1-sulfonate
SMILESCCc1cc(S(=O)(=O)[O-])c2ccccc2c1CC.[K+]
InChIInChI=1S/C14H16O3S.K/c1-3-10-9-14(18(15,16)17)13-8-6-5-7-12(13)11(10)4-2;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1
InChIKeyUMKLWWWIIZQDCO-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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Related Compounds

potassium 5,6-diethylnaphthalene-1-sulfonate
CID 101322426
barium(2+);bis(3,4-dioctadecylnaphthalene-1-sulfonate)
CID 101319352
bis(1,4-di(nonyl)naphthalene-2-sulfonate);lead(2+)
CID 101310054
potassium 3,4-dibutylnaphthalene-2-sulfonate
CID 101323901
sodium 4-propylnaphthalene-1-sulfonate
CID 23722881
potassium 4-octylnaphthalene-1-sulfonate
CID 101317175
calcium bis(5,7-diethylnaphthalene-1-sulfonate)
CID 101324467
disodium;4-aminonaphthalene-1,3-disulfonate
CID 101310208
sodium 3,4-di(tridecyl)naphthalene-2-sulfonate
CID 101325168
barium(2+);bis(3,4-di(nonyl)naphthalene-2-sulfonate)
CID 15173919
potassium 1-butylnaphthalene-2-sulfonate
CID 101317127
3-methylnaphthalene-1-sulfonate
CID 59366561

Frequently Asked Questions

What is the IUPAC name of potassium 3,4-diethylnaphthalene-1-sulfonate?
The IUPAC name of potassium 3,4-diethylnaphthalene-1-sulfonate (CID 101322408) is potassium 3,4-diethylnaphthalene-1-sulfonate.
What is the SMILES notation for potassium 3,4-diethylnaphthalene-1-sulfonate?
The canonical SMILES for potassium 3,4-diethylnaphthalene-1-sulfonate is CCc1cc(S(=O)(=O)[O-])c2ccccc2c1CC.[K+].
What is the InChIKey of potassium 3,4-diethylnaphthalene-1-sulfonate?
The InChIKey is UMKLWWWIIZQDCO-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16O3S.K/c1-3-10-9-14(18(15,16)17)13-8-6-5-7-12(13)11(10)4-2;/h5-9H,3-4H2,1-2H3,(H,15,16,17);/q;+1/p-1.
What are the key properties of potassium 3,4-diethylnaphthalene-1-sulfonate?
potassium 3,4-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 3,4-diethylnaphthalene-1-sulfonate is sourced from PubChem (CID 101322408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).