sodium 1-hydroxydecane-1-sulfonic acid

C10H22NaO4S+ — CID 23131177

IUPACsodium 1-hydroxydecane-1-sulfonic acid
SMILESCCCCCCCCCC(O)S(=O)(=O)O.[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10(11)15(12,13)14;/h10-11H,2-9H2,1H3,(H,12,13,14);/q;+1
InChIKeyNOMBVWMGBIYIDK-UHFFFAOYSA-N
MW261.34 g/mol
LogP-0.66
Rot. Bonds9

About sodium 1-hydroxydecane-1-sulfonic acid

sodium 1-hydroxydecane-1-sulfonic acid (PubChem CID 23131177) has the molecular formula C10H22NaO4S+ and a molecular weight of 261.34 g/mol. Its IUPAC name is sodium 1-hydroxydecane-1-sulfonic acid.

Molecular Properties

Compound Namesodium 1-hydroxydecane-1-sulfonic acid
PubChem CID23131177
Molecular FormulaC10H22NaO4S+
Molecular Weight261.34 g/mol
Exact Mass261.11
IUPAC Namesodium 1-hydroxydecane-1-sulfonic acid
SMILESCCCCCCCCCC(O)S(=O)(=O)O.[Na+]
InChIInChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10(11)15(12,13)14;/h10-11H,2-9H2,1H3,(H,12,13,14);/q;+1
InChIKeyNOMBVWMGBIYIDK-UHFFFAOYSA-N
XLogP-0.66
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
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

1-hydroxyoctane-1-sulfonic acid
CID 22365526
CID 170846812
CID 170846812
1-hydroxypentane-1-sulfonic acid
CID 3016389
docosane-11-sulfonic acid
CID 175254897
pentacosane-11-sulfonic acid
CID 175161777
heptatriacontane-12-sulfonic acid
CID 175166890
octadecane-9-sulfonic acid
CID 19700233
tritetracontane-14-sulfonic acid
CID 151699628
dodecane-3,4-disulfonic acid
CID 90992683
dodecane-5-sulfonic acid
CID 87491021
pentadecane-2-sulfonic acid
CID 22415353
1-aminooctadecane-1-sulfonic acid
CID 87917836

Frequently Asked Questions

What is the IUPAC name of sodium 1-hydroxydecane-1-sulfonic acid?
The IUPAC name of sodium 1-hydroxydecane-1-sulfonic acid (CID 23131177) is sodium 1-hydroxydecane-1-sulfonic acid.
What is the SMILES notation for sodium 1-hydroxydecane-1-sulfonic acid?
The canonical SMILES for sodium 1-hydroxydecane-1-sulfonic acid is CCCCCCCCCC(O)S(=O)(=O)O.[Na+].
What is the InChIKey of sodium 1-hydroxydecane-1-sulfonic acid?
The InChIKey is NOMBVWMGBIYIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O4S.Na/c1-2-3-4-5-6-7-8-9-10(11)15(12,13)14;/h10-11H,2-9H2,1H3,(H,12,13,14);/q;+1.
What are the key properties of sodium 1-hydroxydecane-1-sulfonic acid?
sodium 1-hydroxydecane-1-sulfonic acid has a molecular weight of 261.34 g/mol, XLogP of -0.66, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1-hydroxydecane-1-sulfonic acid is sourced from PubChem (CID 23131177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).