5,8-dipropylnaphthalene-1-sulfonic acid

C16H20O3S — CID 101322469

IUPAC5,8-dipropylnaphthalene-1-sulfonic acid
SMILESCCCc1ccc(CCC)c2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C16H20O3S/c1-3-6-12-10-11-13(7-4-2)16-14(12)8-5-9-15(16)20(17,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyFQIYDVALEKOYEH-UHFFFAOYSA-N
MW292.40 g/mol
LogP3.99
Rot. Bonds5

About 5,8-dipropylnaphthalene-1-sulfonic acid

5,8-dipropylnaphthalene-1-sulfonic acid (PubChem CID 101322469) has the molecular formula C16H20O3S and a molecular weight of 292.40 g/mol. Its IUPAC name is 5,8-dipropylnaphthalene-1-sulfonic acid.

Molecular Properties

Compound Name5,8-dipropylnaphthalene-1-sulfonic acid
PubChem CID101322469
Molecular FormulaC16H20O3S
Molecular Weight292.40 g/mol
Exact Mass292.11
IUPAC Name5,8-dipropylnaphthalene-1-sulfonic acid
SMILESCCCc1ccc(CCC)c2c(S(=O)(=O)O)cccc12
InChIInChI=1S/C16H20O3S/c1-3-6-12-10-11-13(7-4-2)16-14(12)8-5-9-15(16)20(17,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19)
InChIKeyFQIYDVALEKOYEH-UHFFFAOYSA-N
XLogP3.99
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5,8-dipentylnaphthalene-1-sulfonic acid
CID 101322538
4,8-dipentylnaphthalene-1-sulfonic acid
CID 101322532
8-ethyl-5-methylnaphthalene-1-sulfonic acid
CID 168755774
4,5-dibutylnaphthalene-1-sulfonic acid
CID 54390432
8-methoxy-4-tetradecylnaphthalene-1-sulfonic acid
CID 101310381
4,5-di(tetradecyl)naphthalene-1-sulfonic acid
CID 101319199
calcium bis(5,8-dibutylnaphthalene-1-sulfonate)
CID 101324509
calcium bis(5,8-dipentylnaphthalene-1-sulfonate)
CID 101324530
5,8-di(nonyl)naphthalene-1,2-disulfonic acid
CID 57207242
calcium bis(5,8-di(tetradecyl)naphthalene-1-sulfonate)
CID 101324713
8-ethylnaphthalene-1-sulfonic acid
CID 101314983
5,6-di(nonyl)naphthalene-1-sulfonic acid
CID 101309956

Frequently Asked Questions

What is the IUPAC name of 5,8-dipropylnaphthalene-1-sulfonic acid?
The IUPAC name of 5,8-dipropylnaphthalene-1-sulfonic acid (CID 101322469) is 5,8-dipropylnaphthalene-1-sulfonic acid.
What is the SMILES notation for 5,8-dipropylnaphthalene-1-sulfonic acid?
The canonical SMILES for 5,8-dipropylnaphthalene-1-sulfonic acid is CCCc1ccc(CCC)c2c(S(=O)(=O)O)cccc12.
What is the InChIKey of 5,8-dipropylnaphthalene-1-sulfonic acid?
The InChIKey is FQIYDVALEKOYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O3S/c1-3-6-12-10-11-13(7-4-2)16-14(12)8-5-9-15(16)20(17,18)19/h5,8-11H,3-4,6-7H2,1-2H3,(H,17,18,19).
What are the key properties of 5,8-dipropylnaphthalene-1-sulfonic acid?
5,8-dipropylnaphthalene-1-sulfonic acid has a molecular weight of 292.40 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dipropylnaphthalene-1-sulfonic acid is sourced from PubChem (CID 101322469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).