8-decylnaphthalene-2-sulfonic acid

C20H28O3S — CID 101315066

IUPAC8-decylnaphthalene-2-sulfonic acid
SMILESCCCCCCCCCCc1cccc2ccc(S(=O)(=O)O)cc12
InChIInChI=1S/C20H28O3S/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18-14-15-19(16-20(17)18)24(21,22)23/h10,12-16H,2-9,11H2,1H3,(H,21,22,23)
InChIKeyMKQMYONEGHHJLK-UHFFFAOYSA-N
MW348.51 g/mol
LogP5.77
Rot. Bonds10

About 8-decylnaphthalene-2-sulfonic acid

8-decylnaphthalene-2-sulfonic acid (PubChem CID 101315066) has the molecular formula C20H28O3S and a molecular weight of 348.51 g/mol. Its IUPAC name is 8-decylnaphthalene-2-sulfonic acid.

Molecular Properties

Compound Name8-decylnaphthalene-2-sulfonic acid
PubChem CID101315066
Molecular FormulaC20H28O3S
Molecular Weight348.51 g/mol
Exact Mass348.18
IUPAC Name8-decylnaphthalene-2-sulfonic acid
SMILESCCCCCCCCCCc1cccc2ccc(S(=O)(=O)O)cc12
InChIInChI=1S/C20H28O3S/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18-14-15-19(16-20(17)18)24(21,22)23/h10,12-16H,2-9,11H2,1H3,(H,21,22,23)
InChIKeyMKQMYONEGHHJLK-UHFFFAOYSA-N
XLogP5.77
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.51
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

5-hexylnaphthalene-2-sulfonic acid
CID 101315022
7,8-diheptylnaphthalene-2-sulfonic acid
CID 101319465
3,8-didodecylnaphthalene-2-sulfonic acid
CID 101319611
3,5-dihexylnaphthalene-2-sulfonic acid
CID 101319397
6,7-di(tridecyl)naphthalene-2-sulfonic acid
CID 101319669
1-nonylnaphthalene;sulfuric acid
CID 154996092
1-nonylnaphthalene;sulfuric acid
CID 172712573
1-octadecylnaphthalene;sulfuric acid
CID 172709808
6,8-dipentylnaphthalene-2-sulfonic acid
CID 101323965
1-pentylnaphthalene;sulfuric acid
CID 172842201
5,6-di(pentadecyl)naphthalene-2-sulfonic acid
CID 101319747
5,6-di(heptadecyl)naphthalene-2-sulfonic acid
CID 101319831

Frequently Asked Questions

What is the IUPAC name of 8-decylnaphthalene-2-sulfonic acid?
The IUPAC name of 8-decylnaphthalene-2-sulfonic acid (CID 101315066) is 8-decylnaphthalene-2-sulfonic acid.
What is the SMILES notation for 8-decylnaphthalene-2-sulfonic acid?
The canonical SMILES for 8-decylnaphthalene-2-sulfonic acid is CCCCCCCCCCc1cccc2ccc(S(=O)(=O)O)cc12.
What is the InChIKey of 8-decylnaphthalene-2-sulfonic acid?
The InChIKey is MKQMYONEGHHJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O3S/c1-2-3-4-5-6-7-8-9-11-17-12-10-13-18-14-15-19(16-20(17)18)24(21,22)23/h10,12-16H,2-9,11H2,1H3,(H,21,22,23).
What are the key properties of 8-decylnaphthalene-2-sulfonic acid?
8-decylnaphthalene-2-sulfonic acid has a molecular weight of 348.51 g/mol, XLogP of 5.77, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-decylnaphthalene-2-sulfonic acid is sourced from PubChem (CID 101315066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).