potassium 5-nonylnaphthalene-1-sulfonate

C19H25KO3S — CID 101317189

IUPACpotassium 5-nonylnaphthalene-1-sulfonate
SMILESCCCCCCCCCc1cccc2c(S(=O)(=O)[O-])cccc12.[K+]
InChIInChI=1S/C19H26O3S.K/c1-2-3-4-5-6-7-8-11-16-12-9-14-18-17(16)13-10-15-19(18)23(20,21)22;/h9-10,12-15H,2-8,11H2,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyRVNBKDPQHMDVHU-UHFFFAOYSA-M
MW372.57 g/mol
LogP2.04
Rot. Bonds9

About potassium 5-nonylnaphthalene-1-sulfonate

potassium 5-nonylnaphthalene-1-sulfonate (PubChem CID 101317189) has the molecular formula C19H25KO3S and a molecular weight of 372.57 g/mol. Its IUPAC name is potassium 5-nonylnaphthalene-1-sulfonate.

Molecular Properties

Compound Namepotassium 5-nonylnaphthalene-1-sulfonate
PubChem CID101317189
Molecular FormulaC19H25KO3S
Molecular Weight372.57 g/mol
Exact Mass372.12
IUPAC Namepotassium 5-nonylnaphthalene-1-sulfonate
SMILESCCCCCCCCCc1cccc2c(S(=O)(=O)[O-])cccc12.[K+]
InChIInChI=1S/C19H26O3S.K/c1-2-3-4-5-6-7-8-11-16-12-9-14-18-17(16)13-10-15-19(18)23(20,21)22;/h9-10,12-15H,2-8,11H2,1H3,(H,20,21,22);/q;+1/p-1
InChIKeyRVNBKDPQHMDVHU-UHFFFAOYSA-M
XLogP2.04
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.57
LogP ≤ 52.04
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-octylnaphthalene-1-sulfonate
CID 101317175
sodium 4-tridecylnaphthalene-1-sulfonate
CID 101317059
calcium bis(4-nonylnaphthalene-1-sulfonate)
CID 101317377
potassium 1,5-di(tridecyl)naphthalene-2-sulfonate
CID 101324117
potassium 4,5-di(tridecyl)naphthalene-1-sulfonate
CID 101322703
potassium 4,5-di(tetradecyl)naphthalene-1-sulfonate
CID 101322724
potassium 5,7-di(nonyl)naphthalene-1-sulfonate
CID 101322624
potassium 2-heptacosylbenzenesulfonate
CID 101306322
potassium 2-heptatriacontylbenzenesulfonate
CID 101306496
calcium bis(5,8-di(tetradecyl)naphthalene-1-sulfonate)
CID 101324713
potassium 2,3-didodecylbenzenesulfonate
CID 23709137
sodium 5,6-di(tetradecyl)naphthalene-1-sulfonate
CID 101324425

Frequently Asked Questions

What is the IUPAC name of potassium 5-nonylnaphthalene-1-sulfonate?
The IUPAC name of potassium 5-nonylnaphthalene-1-sulfonate (CID 101317189) is potassium 5-nonylnaphthalene-1-sulfonate.
What is the SMILES notation for potassium 5-nonylnaphthalene-1-sulfonate?
The canonical SMILES for potassium 5-nonylnaphthalene-1-sulfonate is CCCCCCCCCc1cccc2c(S(=O)(=O)[O-])cccc12.[K+].
What is the InChIKey of potassium 5-nonylnaphthalene-1-sulfonate?
The InChIKey is RVNBKDPQHMDVHU-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H26O3S.K/c1-2-3-4-5-6-7-8-11-16-12-9-14-18-17(16)13-10-15-19(18)23(20,21)22;/h9-10,12-15H,2-8,11H2,1H3,(H,20,21,22);/q;+1/p-1.
What are the key properties of potassium 5-nonylnaphthalene-1-sulfonate?
potassium 5-nonylnaphthalene-1-sulfonate has a molecular weight of 372.57 g/mol, XLogP of 2.04, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 5-nonylnaphthalene-1-sulfonate is sourced from PubChem (CID 101317189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).