aluminum;ethoxymethanone;hydroxymethanone

C7H11AlO6 — CID 173457242

IUPACaluminum;ethoxymethanone;hydroxymethanone
SMILESCCO[C-]=O.CCO[C-]=O.O=[C-]O.[Al+3]
InChIInChI=1S/2C3H5O2.CHO2.Al/c2*1-2-5-3-4;2-1-3;/h2*2H2,1H3;(H,2,3);/q3*-1;+3
InChIKeyBBNAYGCRMISIKO-UHFFFAOYSA-N
MW218.14 g/mol
LogP-0.59
Rot. Bonds4

About aluminum;ethoxymethanone;hydroxymethanone

aluminum;ethoxymethanone;hydroxymethanone (PubChem CID 173457242) has the molecular formula C7H11AlO6 and a molecular weight of 218.14 g/mol. Its IUPAC name is aluminum;ethoxymethanone;hydroxymethanone.

Molecular Properties

Compound Namealuminum;ethoxymethanone;hydroxymethanone
PubChem CID173457242
Molecular FormulaC7H11AlO6
Molecular Weight218.14 g/mol
Exact Mass218.04
IUPAC Namealuminum;ethoxymethanone;hydroxymethanone
SMILESCCO[C-]=O.CCO[C-]=O.O=[C-]O.[Al+3]
InChIInChI=1S/2C3H5O2.CHO2.Al/c2*1-2-5-3-4;2-1-3;/h2*2H2,1H3;(H,2,3);/q3*-1;+3
InChIKeyBBNAYGCRMISIKO-UHFFFAOYSA-N
XLogP-0.59
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.14
LogP ≤ 5-0.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of aluminum;ethoxymethanone;hydroxymethanone?
The IUPAC name of aluminum;ethoxymethanone;hydroxymethanone (CID 173457242) is aluminum;ethoxymethanone;hydroxymethanone.
What is the SMILES notation for aluminum;ethoxymethanone;hydroxymethanone?
The canonical SMILES for aluminum;ethoxymethanone;hydroxymethanone is CCO[C-]=O.CCO[C-]=O.O=[C-]O.[Al+3].
What is the InChIKey of aluminum;ethoxymethanone;hydroxymethanone?
The InChIKey is BBNAYGCRMISIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H5O2.CHO2.Al/c2*1-2-5-3-4;2-1-3;/h2*2H2,1H3;(H,2,3);/q3*-1;+3.
What are the key properties of aluminum;ethoxymethanone;hydroxymethanone?
aluminum;ethoxymethanone;hydroxymethanone has a molecular weight of 218.14 g/mol, XLogP of -0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;ethoxymethanone;hydroxymethanone is sourced from PubChem (CID 173457242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).