potassium 4,8-dipropylnaphthalene-2-sulfonate

C16H19KO3S — CID 101323881

IUPACpotassium 4,8-dipropylnaphthalene-2-sulfonate
SMILESCCCc1cc(S(=O)(=O)[O-])cc2c(CCC)cccc12.[K+]
InChIInChI=1S/C16H20O3S.K/c1-3-6-12-8-5-9-15-13(7-4-2)10-14(11-16(12)15)20(17,18)19;/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19);/q;+1/p-1
InChIKeyIHFVDVXFONMLIX-UHFFFAOYSA-M
MW330.49 g/mol
LogP0.65
Rot. Bonds5

About potassium 4,8-dipropylnaphthalene-2-sulfonate

potassium 4,8-dipropylnaphthalene-2-sulfonate (PubChem CID 101323881) has the molecular formula C16H19KO3S and a molecular weight of 330.49 g/mol. Its IUPAC name is potassium 4,8-dipropylnaphthalene-2-sulfonate.

Molecular Properties

Compound Namepotassium 4,8-dipropylnaphthalene-2-sulfonate
PubChem CID101323881
Molecular FormulaC16H19KO3S
Molecular Weight330.49 g/mol
Exact Mass330.07
IUPAC Namepotassium 4,8-dipropylnaphthalene-2-sulfonate
SMILESCCCc1cc(S(=O)(=O)[O-])cc2c(CCC)cccc12.[K+]
InChIInChI=1S/C16H20O3S.K/c1-3-6-12-8-5-9-15-13(7-4-2)10-14(11-16(12)15)20(17,18)19;/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19);/q;+1/p-1
InChIKeyIHFVDVXFONMLIX-UHFFFAOYSA-M
XLogP0.65
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.49
LogP ≤ 50.65
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

sodium 4,8-dipentylnaphthalene-2-sulfonate
CID 101325008
barium(2+);bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101319618
calcium bis(4,8-didodecylnaphthalene-2-sulfonate)
CID 101325446
potassium 8-butylnaphthalene-2-sulfonate
CID 101317133
potassium 5,8-dihexylnaphthalene-2-sulfonate
CID 101323985
potassium 4-hexylnaphthalene-2-sulfonate
CID 101317155
potassium 4-decylnaphthalene-2-sulfonate
CID 101317209
calcium bis(3,8-dipropylnaphthalene-2-sulfonate)
CID 101325256
CID 101310112
CID 101310112
calcium bis(5,8-dipentylnaphthalene-2-sulfonate)
CID 101325305
sodium 4-propylnaphthalene-1-sulfonate
CID 23722881
barium(2+);bis(5,8-didodecylnaphthalene-2-sulfonate)
CID 101319624

Frequently Asked Questions

What is the IUPAC name of potassium 4,8-dipropylnaphthalene-2-sulfonate?
The IUPAC name of potassium 4,8-dipropylnaphthalene-2-sulfonate (CID 101323881) is potassium 4,8-dipropylnaphthalene-2-sulfonate.
What is the SMILES notation for potassium 4,8-dipropylnaphthalene-2-sulfonate?
The canonical SMILES for potassium 4,8-dipropylnaphthalene-2-sulfonate is CCCc1cc(S(=O)(=O)[O-])cc2c(CCC)cccc12.[K+].
What is the InChIKey of potassium 4,8-dipropylnaphthalene-2-sulfonate?
The InChIKey is IHFVDVXFONMLIX-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H20O3S.K/c1-3-6-12-8-5-9-15-13(7-4-2)10-14(11-16(12)15)20(17,18)19;/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19);/q;+1/p-1.
What are the key properties of potassium 4,8-dipropylnaphthalene-2-sulfonate?
potassium 4,8-dipropylnaphthalene-2-sulfonate has a molecular weight of 330.49 g/mol, XLogP of 0.65, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 4,8-dipropylnaphthalene-2-sulfonate is sourced from PubChem (CID 101323881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).