potassium 4-decylnaphthalene-2-sulfonate

C20H27KO3S — CID 101317209

IUPACpotassium 4-decylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCc1cc(S(=O)(=O)[O-])cc2ccccc12.[K+]
InChIInChI=1S/C20H28O3S.K/c1-2-3-4-5-6-7-8-9-12-17-15-19(24(21,22)23)16-18-13-10-11-14-20(17)18;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22,23);/q;+1/p-1
InChIKeyVABPNXLZAQETIN-UHFFFAOYSA-M
MW386.60 g/mol
LogP2.43
Rot. Bonds10

About potassium 4-decylnaphthalene-2-sulfonate

potassium 4-decylnaphthalene-2-sulfonate (PubChem CID 101317209) has the molecular formula C20H27KO3S and a molecular weight of 386.60 g/mol. Its IUPAC name is potassium 4-decylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 4-decylnaphthalene-2-sulfonate
PubChem CID101317209
Molecular FormulaC20H27KO3S
Molecular Weight386.60 g/mol
Exact Mass386.13
IUPAC Namepotassium 4-decylnaphthalene-2-sulfonate
SMILESCCCCCCCCCCc1cc(S(=O)(=O)[O-])cc2ccccc12.[K+]
InChIInChI=1S/C20H28O3S.K/c1-2-3-4-5-6-7-8-9-12-17-15-19(24(21,22)23)16-18-13-10-11-14-20(17)18;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22,23);/q;+1/p-1
InChIKeyVABPNXLZAQETIN-UHFFFAOYSA-M
XLogP2.43
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.60
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

potassium 4-hexylnaphthalene-2-sulfonate
CID 101317155
potassium 5-tetradecylnaphthalene-2-sulfonate
CID 101317264
potassium 4,7-diheptylnaphthalene-2-sulfonate
CID 101324002
barium(2+);bis(4,6-dioctadecylnaphthalene-2-sulfonate)
CID 101319866
sodium 4,6-dihexylnaphthalene-2-sulfonate
CID 101325027
calcium bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101325446
barium(2+);bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101319618
calcium bis(4,6-dipentylnaphthalene-2-sulfonate)
CID 101325300
barium(2+);bis(4,5-didecylnaphthalene-2-sulfonate)
CID 101319530
sodium 4,8-dipentylnaphthalene-2-sulfonate
CID 101325008
potassium 2,4-di(tridecyl)naphthalene-1-sulfonate
CID 101322693
potassium 2,4-dioctylnaphthalene-1-sulfonate
CID 101322588

Frequently Asked Questions

What is the IUPAC name of potassium 4-decylnaphthalene-2-sulfonate?
The IUPAC name of potassium 4-decylnaphthalene-2-sulfonate (CID 101317209) is potassium 4-decylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 4-decylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 4-decylnaphthalene-2-sulfonate is CCCCCCCCCCc1cc(S(=O)(=O)[O-])cc2ccccc12.[K+].
What is the InChIKey of potassium 4-decylnaphthalene-2-sulfonate?
The InChIKey is VABPNXLZAQETIN-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H28O3S.K/c1-2-3-4-5-6-7-8-9-12-17-15-19(24(21,22)23)16-18-13-10-11-14-20(17)18;/h10-11,13-16H,2-9,12H2,1H3,(H,21,22,23);/q;+1/p-1.
What are the key properties of potassium 4-decylnaphthalene-2-sulfonate?
potassium 4-decylnaphthalene-2-sulfonate has a molecular weight of 386.60 g/mol, XLogP of 2.43, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-decylnaphthalene-2-sulfonate is sourced from PubChem (CID 101317209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).