dialuminum;ethoxyethane;trisulfate

C4H10Al2O13S3 — CID 174817386

IUPACdialuminum;ethoxyethane;trisulfate
SMILESCCOCC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/C4H10O.2Al.3H2O4S/c1-3-5-4-2;;;3*1-5(2,3)4/h3-4H2,1-2H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyMPPTUGAKMJDMAK-UHFFFAOYSA-H
MW416.28 g/mol
LogP-3.73
Rot. Bonds2

About dialuminum;ethoxyethane;trisulfate

dialuminum;ethoxyethane;trisulfate (PubChem CID 174817386) has the molecular formula C4H10Al2O13S3 and a molecular weight of 416.28 g/mol. Its IUPAC name is dialuminum;ethoxyethane;trisulfate.

Molecular Properties

Compound Namedialuminum;ethoxyethane;trisulfate
PubChem CID174817386
Molecular FormulaC4H10Al2O13S3
Molecular Weight416.28 g/mol
Exact Mass415.89
IUPAC Namedialuminum;ethoxyethane;trisulfate
SMILESCCOCC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3]
InChIInChI=1S/C4H10O.2Al.3H2O4S/c1-3-5-4-2;;;3*1-5(2,3)4/h3-4H2,1-2H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6
InChIKeyMPPTUGAKMJDMAK-UHFFFAOYSA-H
XLogP-3.73
TPSA250.01 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.28
LogP ≤ 5-3.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze dialuminum;ethoxyethane;trisulfate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

disodium;ethoxyethane;sulfate
CID 158792070
ethoxyethane;silylsulfonylsilane
CID 173255647
aluminum;ethoxyethane;triiodide
CID 173390625
lithium;ethoxyethane;chloride
CID 175344978
dilithium;ethoxyethane;carbonate
CID 173429420
sodium;ethoxyethane;ethoxy sulfate
CID 88747488
ethoxyethane
CID 18694919
ethoxyethane
CID 19002445
ethoxyethane;formaldehyde
CID 174286087
lithium;alumane;ethoxyethane;hydride
CID 173476606
ethoxyethane;oxophosphane
CID 18547249
ethoxyethane;sulfane
CID 90240371

Frequently Asked Questions

What is the IUPAC name of dialuminum;ethoxyethane;trisulfate?
The IUPAC name of dialuminum;ethoxyethane;trisulfate (CID 174817386) is dialuminum;ethoxyethane;trisulfate.
What is the SMILES notation for dialuminum;ethoxyethane;trisulfate?
The canonical SMILES for dialuminum;ethoxyethane;trisulfate is CCOCC.O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].O=S(=O)([O-])[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;ethoxyethane;trisulfate?
The InChIKey is MPPTUGAKMJDMAK-UHFFFAOYSA-H. The full InChI is InChI=1S/C4H10O.2Al.3H2O4S/c1-3-5-4-2;;;3*1-5(2,3)4/h3-4H2,1-2H3;;;3*(H2,1,2,3,4)/q;2*+3;;;/p-6.
What are the key properties of dialuminum;ethoxyethane;trisulfate?
dialuminum;ethoxyethane;trisulfate has a molecular weight of 416.28 g/mol, XLogP of -3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;ethoxyethane;trisulfate is sourced from PubChem (CID 174817386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).