aluminum ethaneperoxoic acid

C2H4AlO3+3 — CID 22172567

IUPACaluminum ethaneperoxoic acid
SMILESCC(=O)OO.[Al+3]
InChIInChI=1S/C2H4O3.Al/c1-2(3)5-4;/h4H,1H3;/q;+3
InChIKeyJGNKASZESYFELH-UHFFFAOYSA-N
MW103.03 g/mol
LogP-0.36
Rot. Bonds

About aluminum ethaneperoxoic acid

aluminum ethaneperoxoic acid (PubChem CID 22172567) has the molecular formula C2H4AlO3+3 and a molecular weight of 103.03 g/mol. Its IUPAC name is aluminum ethaneperoxoic acid.

Molecular Properties

Compound Namealuminum ethaneperoxoic acid
PubChem CID22172567
Molecular FormulaC2H4AlO3+3
Molecular Weight103.03 g/mol
Exact Mass103.00
IUPAC Namealuminum ethaneperoxoic acid
SMILESCC(=O)OO.[Al+3]
InChIInChI=1S/C2H4O3.Al/c1-2(3)5-4;/h4H,1H3;/q;+3
InChIKeyJGNKASZESYFELH-UHFFFAOYSA-N
XLogP-0.36
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.03
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

CID 87069860
CID 87069860
ethaneperoxoic acid;yttrium
CID 88646363
sodium;ethaneperoxoic acid;bromide
CID 175568504
ethaneperoxoic acid;methoxymethane
CID 87834215
ethane;ethaneperoxoic acid;methanamine
CID 159871057
sodium;ethaneperoxoic acid;acetate
CID 87103299
acetonitrile;ethaneperoxoic acid
CID 160709042
butanedioic acid;ethaneperoxoic acid
CID 160919533
ethaneperoxoic acid;octane
CID 87879495
aluminum;acetyl acetate;trichloride
CID 86584360
N'-(2-aminoethyl)ethane-1,2-diamine;ethaneperoxoic acid
CID 157318736
ethaneperoxoic acid;toluene
CID 158922326

Frequently Asked Questions

What is the IUPAC name of aluminum ethaneperoxoic acid?
The IUPAC name of aluminum ethaneperoxoic acid (CID 22172567) is aluminum ethaneperoxoic acid.
What is the SMILES notation for aluminum ethaneperoxoic acid?
The canonical SMILES for aluminum ethaneperoxoic acid is CC(=O)OO.[Al+3].
What is the InChIKey of aluminum ethaneperoxoic acid?
The InChIKey is JGNKASZESYFELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O3.Al/c1-2(3)5-4;/h4H,1H3;/q;+3.
What are the key properties of aluminum ethaneperoxoic acid?
aluminum ethaneperoxoic acid has a molecular weight of 103.03 g/mol, XLogP of -0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum ethaneperoxoic acid is sourced from PubChem (CID 22172567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).