potassium 4-octylnaphthalene-1-sulfonate

C18H23KO3S — CID 101317175

IUPACpotassium 4-octylnaphthalene-1-sulfonate
SMILESCCCCCCCCc1ccc(S(=O)(=O)[O-])c2ccccc12.[K+]
InChIInChI=1S/C18H24O3S.K/c1-2-3-4-5-6-7-10-15-13-14-18(22(19,20)21)17-12-9-8-11-16(15)17;/h8-9,11-14H,2-7,10H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyQBSPNKABLWNYGJ-UHFFFAOYSA-M
MW358.54 g/mol
LogP1.65
Rot. Bonds8

About potassium 4-octylnaphthalene-1-sulfonate

potassium 4-octylnaphthalene-1-sulfonate (PubChem CID 101317175) has the molecular formula C18H23KO3S and a molecular weight of 358.54 g/mol. Its IUPAC name is potassium 4-octylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 4-octylnaphthalene-1-sulfonate
PubChem CID101317175
Molecular FormulaC18H23KO3S
Molecular Weight358.54 g/mol
Exact Mass358.10
IUPAC Namepotassium 4-octylnaphthalene-1-sulfonate
SMILESCCCCCCCCc1ccc(S(=O)(=O)[O-])c2ccccc12.[K+]
InChIInChI=1S/C18H24O3S.K/c1-2-3-4-5-6-7-10-15-13-14-18(22(19,20)21)17-12-9-8-11-16(15)17;/h8-9,11-14H,2-7,10H2,1H3,(H,19,20,21);/q;+1/p-1
InChIKeyQBSPNKABLWNYGJ-UHFFFAOYSA-M
XLogP1.65
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.54
LogP ≤ 51.65
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

sodium 4-tridecylnaphthalene-1-sulfonate
CID 101317059
calcium bis(4-nonylnaphthalene-1-sulfonate)
CID 101317377
potassium 5-nonylnaphthalene-1-sulfonate
CID 101317189
potassium 4,5-di(tetradecyl)naphthalene-1-sulfonate
CID 101322724
potassium 4,5-di(tridecyl)naphthalene-1-sulfonate
CID 101322703
sodium 4-propylnaphthalene-1-sulfonate
CID 23722881
potassium 1,5-di(tridecyl)naphthalene-2-sulfonate
CID 101324117
sodium 4,8-dihexylnaphthalene-1-sulfonate
CID 23677798
sodium 4,5-didecylnaphthalene-1-sulfonate
CID 101324339
potassium 2-heptatriacontylbenzenesulfonate
CID 101306496
potassium 2-heptacosylbenzenesulfonate
CID 101306322
calcium bis(5,8-di(tetradecyl)naphthalene-1-sulfonate)
CID 101324713

Frequently Asked Questions

What is the IUPAC name of potassium 4-octylnaphthalene-1-sulfonate?
The IUPAC name of potassium 4-octylnaphthalene-1-sulfonate (CID 101317175) is potassium 4-octylnaphthalene-1-sulfonate.
What is the SMILES notation for potassium 4-octylnaphthalene-1-sulfonate?
The canonical SMILES for potassium 4-octylnaphthalene-1-sulfonate is CCCCCCCCc1ccc(S(=O)(=O)[O-])c2ccccc12.[K+].
What is the InChIKey of potassium 4-octylnaphthalene-1-sulfonate?
The InChIKey is QBSPNKABLWNYGJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H24O3S.K/c1-2-3-4-5-6-7-10-15-13-14-18(22(19,20)21)17-12-9-8-11-16(15)17;/h8-9,11-14H,2-7,10H2,1H3,(H,19,20,21);/q;+1/p-1.
What are the key properties of potassium 4-octylnaphthalene-1-sulfonate?
potassium 4-octylnaphthalene-1-sulfonate has a molecular weight of 358.54 g/mol, XLogP of 1.65, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4-octylnaphthalene-1-sulfonate is sourced from PubChem (CID 101317175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).