sodium;hydride;octadecane-1,18-disulfonic acid

C18H39NaO6S2 — CID 174554044

IUPACsodium;hydride;octadecane-1,18-disulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C18H38O6S2.Na.H/c19-25(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(22,23)24;;/h1-18H2,(H,19,20,21)(H,22,23,24);;/q;+1;-1
InChIKeyWBRCIKBDFWRCCR-UHFFFAOYSA-N
MW438.63 g/mol
LogP2.12
Rot. Bonds19

About sodium;hydride;octadecane-1,18-disulfonic acid

sodium;hydride;octadecane-1,18-disulfonic acid (PubChem CID 174554044) has the molecular formula C18H39NaO6S2 and a molecular weight of 438.63 g/mol. Its IUPAC name is sodium;hydride;octadecane-1,18-disulfonic acid.

Molecular Properties

Compound Namesodium;hydride;octadecane-1,18-disulfonic acid
PubChem CID174554044
Molecular FormulaC18H39NaO6S2
Molecular Weight438.63 g/mol
Exact Mass438.21
IUPAC Namesodium;hydride;octadecane-1,18-disulfonic acid
SMILESO=S(=O)(O)CCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[Na+]
InChIInChI=1S/C18H38O6S2.Na.H/c19-25(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(22,23)24;;/h1-18H2,(H,19,20,21)(H,22,23,24);;/q;+1;-1
InChIKeyWBRCIKBDFWRCCR-UHFFFAOYSA-N
XLogP2.12
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.63
LogP ≤ 52.12
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

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CID 173097800
strontium;hexane-1,6-disulfonic acid;hydride
CID 173065455
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-aminobutane-1-sulfonic acid;hydride
CID 173095969
sodium;4-fluorobutane-1-sulfonic acid;hydride
CID 173211362
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;hydride;octadecane-1,18-disulfonic acid?
The IUPAC name of sodium;hydride;octadecane-1,18-disulfonic acid (CID 174554044) is sodium;hydride;octadecane-1,18-disulfonic acid.
What is the SMILES notation for sodium;hydride;octadecane-1,18-disulfonic acid?
The canonical SMILES for sodium;hydride;octadecane-1,18-disulfonic acid is O=S(=O)(O)CCCCCCCCCCCCCCCCCCS(=O)(=O)O.[H-].[Na+].
What is the InChIKey of sodium;hydride;octadecane-1,18-disulfonic acid?
The InChIKey is WBRCIKBDFWRCCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38O6S2.Na.H/c19-25(20,21)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-26(22,23)24;;/h1-18H2,(H,19,20,21)(H,22,23,24);;/q;+1;-1.
What are the key properties of sodium;hydride;octadecane-1,18-disulfonic acid?
sodium;hydride;octadecane-1,18-disulfonic acid has a molecular weight of 438.63 g/mol, XLogP of 2.12, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;octadecane-1,18-disulfonic acid is sourced from PubChem (CID 174554044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).