strontium bis(octane-1-sulfonate)

C16H34O6S2Sr — CID 139842217

IUPACstrontium bis(octane-1-sulfonate)
SMILESCCCCCCCCS(=O)(=O)[O-].CCCCCCCCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/2C8H18O3S.Sr/c2*1-2-3-4-5-6-7-8-12(9,10)11;/h2*2-8H2,1H3,(H,9,10,11);/q;;+2/p-2
InChIKeyYWTKVNYQTJJRQC-UHFFFAOYSA-L
MW474.20 g/mol
LogP3.40
Rot. Bonds14

About strontium bis(octane-1-sulfonate)

strontium bis(octane-1-sulfonate) (PubChem CID 139842217) has the molecular formula C16H34O6S2Sr and a molecular weight of 474.20 g/mol. Its IUPAC name is strontium bis(octane-1-sulfonate).

Molecular Properties

Compound Namestrontium bis(octane-1-sulfonate)
PubChem CID139842217
Molecular FormulaC16H34O6S2Sr
Molecular Weight474.20 g/mol
Exact Mass474.09
IUPAC Namestrontium bis(octane-1-sulfonate)
SMILESCCCCCCCCS(=O)(=O)[O-].CCCCCCCCS(=O)(=O)[O-].[Sr+2]
InChIInChI=1S/2C8H18O3S.Sr/c2*1-2-3-4-5-6-7-8-12(9,10)11;/h2*2-8H2,1H3,(H,9,10,11);/q;;+2/p-2
InChIKeyYWTKVNYQTJJRQC-UHFFFAOYSA-L
XLogP3.40
TPSA114.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.20
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

CID 21277428
CID 21277428
lithium hexane-1-sulfonate
CID 87141758
cesium hexane-1-sulfonate
CID 141317548
silver pentadecane-1-sulfonate
CID 102573896
silver decane-1-sulfonate
CID 18615614
tris(dodecane-1-sulfonate);ytterbium(3+)
CID 100979741
aluminum tris(octadecane-1-sulfonate)
CID 158491370
potassium tridecane-1-sulfonate
CID 23711351
sodium dodecane-1-sulfonate
CID 23665726
tris(heptane-1-sulfonate);lanthanum(3+)
CID 163364171
zinc bis(tetradecane-1-sulfonate)
CID 139716467
tris(dodecane-1-sulfonate);scandium(3+)
CID 11650744

Frequently Asked Questions

What is the IUPAC name of strontium bis(octane-1-sulfonate)?
The IUPAC name of strontium bis(octane-1-sulfonate) (CID 139842217) is strontium bis(octane-1-sulfonate).
What is the SMILES notation for strontium bis(octane-1-sulfonate)?
The canonical SMILES for strontium bis(octane-1-sulfonate) is CCCCCCCCS(=O)(=O)[O-].CCCCCCCCS(=O)(=O)[O-].[Sr+2].
What is the InChIKey of strontium bis(octane-1-sulfonate)?
The InChIKey is YWTKVNYQTJJRQC-UHFFFAOYSA-L. The full InChI is InChI=1S/2C8H18O3S.Sr/c2*1-2-3-4-5-6-7-8-12(9,10)11;/h2*2-8H2,1H3,(H,9,10,11);/q;;+2/p-2.
What are the key properties of strontium bis(octane-1-sulfonate)?
strontium bis(octane-1-sulfonate) has a molecular weight of 474.20 g/mol, XLogP of 3.40, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for strontium bis(octane-1-sulfonate) is sourced from PubChem (CID 139842217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).