dialuminum;oxidooxymethanone

C3Al2O9 — CID 173456904

IUPACdialuminum;oxidooxymethanone
SMILESO=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].[Al+3].[Al+3]
InChIInChI=1S/3CHO3.2Al/c3*2-1-4-3;;/h3*3H;;/q3*-1;2*+3/p-3
InChIKeyALRZGJTZRXUDPD-UHFFFAOYSA-K
MW233.99 g/mol
LogP-5.73
Rot. Bonds3

About dialuminum;oxidooxymethanone

dialuminum;oxidooxymethanone (PubChem CID 173456904) has the molecular formula C3Al2O9 and a molecular weight of 233.99 g/mol. Its IUPAC name is dialuminum;oxidooxymethanone.

Molecular Properties

Compound Namedialuminum;oxidooxymethanone
PubChem CID173456904
Molecular FormulaC3Al2O9
Molecular Weight233.99 g/mol
Exact Mass233.92
IUPAC Namedialuminum;oxidooxymethanone
SMILESO=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].[Al+3].[Al+3]
InChIInChI=1S/3CHO3.2Al/c3*2-1-4-3;;/h3*3H;;/q3*-1;2*+3/p-3
InChIKeyALRZGJTZRXUDPD-UHFFFAOYSA-K
XLogP-5.73
TPSA148.08 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.99
LogP ≤ 5-5.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

dicesium;oxidooxymethanone
CID 155660792
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Frequently Asked Questions

What is the IUPAC name of dialuminum;oxidooxymethanone?
The IUPAC name of dialuminum;oxidooxymethanone (CID 173456904) is dialuminum;oxidooxymethanone.
What is the SMILES notation for dialuminum;oxidooxymethanone?
The canonical SMILES for dialuminum;oxidooxymethanone is O=[C-]O[O-].O=[C-]O[O-].O=[C-]O[O-].[Al+3].[Al+3].
What is the InChIKey of dialuminum;oxidooxymethanone?
The InChIKey is ALRZGJTZRXUDPD-UHFFFAOYSA-K. The full InChI is InChI=1S/3CHO3.2Al/c3*2-1-4-3;;/h3*3H;;/q3*-1;2*+3/p-3.
What are the key properties of dialuminum;oxidooxymethanone?
dialuminum;oxidooxymethanone has a molecular weight of 233.99 g/mol, XLogP of -5.73, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;oxidooxymethanone is sourced from PubChem (CID 173456904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).