aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)

C40H35AlMgO15S5 — CID 175122600

IUPACaluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
SMILESC=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Al+3].[Mg+2]
InChIInChI=1S/5C8H8O3S.Al.Mg/c5*1-2-7-3-5-8(6-4-7)12(9,10)11;;/h5*2-6H,1H2,(H,9,10,11);;/q;;;;;+3;+2/p-5
InChIKeyUQXZZTLVDJOQSI-UHFFFAOYSA-I
MW967.33 g/mol
LogP5.41
Rot. Bonds10

About aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)

aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate) (PubChem CID 175122600) has the molecular formula C40H35AlMgO15S5 and a molecular weight of 967.33 g/mol. Its IUPAC name is aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate).

Molecular Properties

Compound Namealuminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
PubChem CID175122600
Molecular FormulaC40H35AlMgO15S5
Molecular Weight967.33 g/mol
Exact Mass966.02
IUPAC Namealuminum;magnesium;pentakis(4-ethenylbenzenesulfonate)
SMILESC=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Al+3].[Mg+2]
InChIInChI=1S/5C8H8O3S.Al.Mg/c5*1-2-7-3-5-8(6-4-7)12(9,10)11;;/h5*2-6H,1H2,(H,9,10,11);;/q;;;;;+3;+2/p-5
InChIKeyUQXZZTLVDJOQSI-UHFFFAOYSA-I
XLogP5.41
TPSA286.00 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500967.33
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

zinc bis(4-ethenylbenzenesulfonate)
CID 22931380
diazanium;4-ethenylbenzenesulfonate;chloride
CID 177250725
4-ethenylbenzenesulfonate;tetraphenylphosphanium
CID 87934174
4-[6-(4-ethenylphenoxy)hexoxy]benzenesulfonate
CID 140670040
4-ethenyl-N-(4-ethenylphenyl)sulfonyl-N-methylbenzenesulfonamide
CID 130458466
potassium 3,5-bis(ethenyl)benzenesulfonate
CID 140755926
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
4-[3-(4-ethenylphenoxy)cyclohexyl]oxybenzenesulfonate
CID 140670060
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
(4-ethenylphenyl)methyl-trimethylazanium;methanesulfonate
CID 71406708
aluminum;benzene;benzenesulfonate
CID 174875104
(4-ethenylphenyl)sulfonyl-fluorosulfonylazanide
CID 170776199

Frequently Asked Questions

What is the IUPAC name of aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)?
The IUPAC name of aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate) (CID 175122600) is aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate).
What is the SMILES notation for aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)?
The canonical SMILES for aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate) is C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.C=Cc1ccc(S(=O)(=O)[O-])cc1.[Al+3].[Mg+2].
What is the InChIKey of aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)?
The InChIKey is UQXZZTLVDJOQSI-UHFFFAOYSA-I. The full InChI is InChI=1S/5C8H8O3S.Al.Mg/c5*1-2-7-3-5-8(6-4-7)12(9,10)11;;/h5*2-6H,1H2,(H,9,10,11);;/q;;;;;+3;+2/p-5.
What are the key properties of aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate)?
aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate) has a molecular weight of 967.33 g/mol, XLogP of 5.41, 10 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;magnesium;pentakis(4-ethenylbenzenesulfonate) is sourced from PubChem (CID 175122600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).