sodium;decane-1,10-disulfonic acid;hydride

C10H23NaO6S2 — CID 173097800

IUPACsodium;decane-1,10-disulfonic acid;hydride
SMILESO=S(=O)(O)CCCCCCCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C10H22O6S2.Na.H/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;+1;-1
InChIKeyURRHLDJJJDCCSK-UHFFFAOYSA-N
MW326.41 g/mol
LogP-1.00
Rot. Bonds11

About sodium;decane-1,10-disulfonic acid;hydride

sodium;decane-1,10-disulfonic acid;hydride (PubChem CID 173097800) has the molecular formula C10H23NaO6S2 and a molecular weight of 326.41 g/mol. Its IUPAC name is sodium;decane-1,10-disulfonic acid;hydride.

Molecular Properties

Compound Namesodium;decane-1,10-disulfonic acid;hydride
PubChem CID173097800
Molecular FormulaC10H23NaO6S2
Molecular Weight326.41 g/mol
Exact Mass326.08
IUPAC Namesodium;decane-1,10-disulfonic acid;hydride
SMILESO=S(=O)(O)CCCCCCCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C10H22O6S2.Na.H/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;+1;-1
InChIKeyURRHLDJJJDCCSK-UHFFFAOYSA-N
XLogP-1.00
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.41
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

sodium;hydride;octadecane-1,18-disulfonic acid
CID 174554044
strontium;hexane-1,6-disulfonic acid;hydride
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octane-1,8-disulfonic acid
CID 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
sodium;dodecane-1-sulfonic acid;hydride;hydrochloride
CID 175497473
sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
sodium;4-aminobutane-1-sulfonic acid;hydride
CID 173095969
butane-1,4-disulfonic acid;ethene
CID 173210763
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
potassium;hexane-1-sulfonic acid;hydride
CID 173172538
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039

Frequently Asked Questions

What is the IUPAC name of sodium;decane-1,10-disulfonic acid;hydride?
The IUPAC name of sodium;decane-1,10-disulfonic acid;hydride (CID 173097800) is sodium;decane-1,10-disulfonic acid;hydride.
What is the SMILES notation for sodium;decane-1,10-disulfonic acid;hydride?
The canonical SMILES for sodium;decane-1,10-disulfonic acid;hydride is O=S(=O)(O)CCCCCCCCCCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;decane-1,10-disulfonic acid;hydride?
The InChIKey is URRHLDJJJDCCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O6S2.Na.H/c11-17(12,13)9-7-5-3-1-2-4-6-8-10-18(14,15)16;;/h1-10H2,(H,11,12,13)(H,14,15,16);;/q;+1;-1.
What are the key properties of sodium;decane-1,10-disulfonic acid;hydride?
sodium;decane-1,10-disulfonic acid;hydride has a molecular weight of 326.41 g/mol, XLogP of -1.00, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;decane-1,10-disulfonic acid;hydride is sourced from PubChem (CID 173097800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).