calcium;acetic acid;alumane;hydride;sulfuric acid

C2H11AlCaO6S — CID 175212602

IUPACcalcium;acetic acid;alumane;hydride;sulfuric acid
SMILESCC(=O)O.O=S(=O)(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/C2H4O2.Al.Ca.H2O4S.5H/c1-2(3)4;;;1-5(2,3)4;;;;;/h1H3,(H,3,4);;;(H2,1,2,3,4);;;;;/q;;+2;;;;;2*-1
InChIKeyMZJJPDOUPMNPSL-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.90
Rot. Bonds

About calcium;acetic acid;alumane;hydride;sulfuric acid

calcium;acetic acid;alumane;hydride;sulfuric acid (PubChem CID 175212602) has the molecular formula C2H11AlCaO6S and a molecular weight of 230.23 g/mol. Its IUPAC name is calcium;acetic acid;alumane;hydride;sulfuric acid.

Molecular Properties

Compound Namecalcium;acetic acid;alumane;hydride;sulfuric acid
PubChem CID175212602
Molecular FormulaC2H11AlCaO6S
Molecular Weight230.23 g/mol
Exact Mass229.97
IUPAC Namecalcium;acetic acid;alumane;hydride;sulfuric acid
SMILESCC(=O)O.O=S(=O)(O)O.[AlH3].[Ca+2].[H-].[H-]
InChIInChI=1S/C2H4O2.Al.Ca.H2O4S.5H/c1-2(3)4;;;1-5(2,3)4;;;;;/h1H3,(H,3,4);;;(H2,1,2,3,4);;;;;/q;;+2;;;;;2*-1
InChIKeyMZJJPDOUPMNPSL-UHFFFAOYSA-N
XLogP-1.90
TPSA111.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of calcium;acetic acid;alumane;hydride;sulfuric acid?
The IUPAC name of calcium;acetic acid;alumane;hydride;sulfuric acid (CID 175212602) is calcium;acetic acid;alumane;hydride;sulfuric acid.
What is the SMILES notation for calcium;acetic acid;alumane;hydride;sulfuric acid?
The canonical SMILES for calcium;acetic acid;alumane;hydride;sulfuric acid is CC(=O)O.O=S(=O)(O)O.[AlH3].[Ca+2].[H-].[H-].
What is the InChIKey of calcium;acetic acid;alumane;hydride;sulfuric acid?
The InChIKey is MZJJPDOUPMNPSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O2.Al.Ca.H2O4S.5H/c1-2(3)4;;;1-5(2,3)4;;;;;/h1H3,(H,3,4);;;(H2,1,2,3,4);;;;;/q;;+2;;;;;2*-1.
What are the key properties of calcium;acetic acid;alumane;hydride;sulfuric acid?
calcium;acetic acid;alumane;hydride;sulfuric acid has a molecular weight of 230.23 g/mol, XLogP of -1.90, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for calcium;acetic acid;alumane;hydride;sulfuric acid is sourced from PubChem (CID 175212602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).