strontium;hexane-1,6-disulfonic acid;hydride

C6H16O6S2Sr — CID 173065455

IUPACstrontium;hexane-1,6-disulfonic acid;hydride
SMILESO=S(=O)(O)CCCCCCS(=O)(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H14O6S2.Sr.2H/c7-13(8,9)5-3-1-2-4-6-14(10,11)12;;;/h1-6H2,(H,7,8,9)(H,10,11,12);;;/q;+2;2*-1
InChIKeyALDMFRRZQJXGHQ-UHFFFAOYSA-N
MW335.94 g/mol
LogP0.17
Rot. Bonds7

About strontium;hexane-1,6-disulfonic acid;hydride

strontium;hexane-1,6-disulfonic acid;hydride (PubChem CID 173065455) has the molecular formula C6H16O6S2Sr and a molecular weight of 335.94 g/mol. Its IUPAC name is strontium;hexane-1,6-disulfonic acid;hydride.

Molecular Properties

Compound Namestrontium;hexane-1,6-disulfonic acid;hydride
PubChem CID173065455
Molecular FormulaC6H16O6S2Sr
Molecular Weight335.94 g/mol
Exact Mass335.94
IUPAC Namestrontium;hexane-1,6-disulfonic acid;hydride
SMILESO=S(=O)(O)CCCCCCS(=O)(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C6H14O6S2.Sr.2H/c7-13(8,9)5-3-1-2-4-6-14(10,11)12;;;/h1-6H2,(H,7,8,9)(H,10,11,12);;;/q;+2;2*-1
InChIKeyALDMFRRZQJXGHQ-UHFFFAOYSA-N
XLogP0.17
TPSA108.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.94
LogP ≤ 50.17
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 18172926
pentane-1,5-disulfonic acid;hydrate
CID 133062445
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;dodecane-1-sulfonic acid;hydride
CID 173017577
magnesium;hydride;triacontane-1-sulfonic acid
CID 173018039
decane-1-sulfonic acid
CID 157391186
14-bromotetradecane-1-sulfonic acid
CID 176903761

Frequently Asked Questions

What is the IUPAC name of strontium;hexane-1,6-disulfonic acid;hydride?
The IUPAC name of strontium;hexane-1,6-disulfonic acid;hydride (CID 173065455) is strontium;hexane-1,6-disulfonic acid;hydride.
What is the SMILES notation for strontium;hexane-1,6-disulfonic acid;hydride?
The canonical SMILES for strontium;hexane-1,6-disulfonic acid;hydride is O=S(=O)(O)CCCCCCS(=O)(=O)O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hexane-1,6-disulfonic acid;hydride?
The InChIKey is ALDMFRRZQJXGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O6S2.Sr.2H/c7-13(8,9)5-3-1-2-4-6-14(10,11)12;;;/h1-6H2,(H,7,8,9)(H,10,11,12);;;/q;+2;2*-1.
What are the key properties of strontium;hexane-1,6-disulfonic acid;hydride?
strontium;hexane-1,6-disulfonic acid;hydride has a molecular weight of 335.94 g/mol, XLogP of 0.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hexane-1,6-disulfonic acid;hydride is sourced from PubChem (CID 173065455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).