dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)

C12H32Al2N2O2 — CID 15978004

IUPACdialuminum;carbanide;bis(2-(dimethylamino)ethanolate)
SMILESCN(C)CC[O-].CN(C)CC[O-].[Al+3].[Al+3].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C4H10NO.4CH3.2Al/c2*1-5(2)3-4-6;;;;;;/h2*3-4H2,1-2H3;4*1H3;;/q6*-1;2*+3
InChIKeyXDZMZXYJQFMGNK-UHFFFAOYSA-N
MW290.36 g/mol
LogP-1.14
Rot. Bonds4

About dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)

dialuminum;carbanide;bis(2-(dimethylamino)ethanolate) (PubChem CID 15978004) has the molecular formula C12H32Al2N2O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is dialuminum;carbanide;bis(2-(dimethylamino)ethanolate).

Molecular Properties

Compound Namedialuminum;carbanide;bis(2-(dimethylamino)ethanolate)
PubChem CID15978004
Molecular FormulaC12H32Al2N2O2
Molecular Weight290.36 g/mol
Exact Mass290.21
IUPAC Namedialuminum;carbanide;bis(2-(dimethylamino)ethanolate)
SMILESCN(C)CC[O-].CN(C)CC[O-].[Al+3].[Al+3].[CH3-].[CH3-].[CH3-].[CH3-]
InChIInChI=1S/2C4H10NO.4CH3.2Al/c2*1-5(2)3-4-6;;;;;;/h2*3-4H2,1-2H3;4*1H3;;/q6*-1;2*+3
InChIKeyXDZMZXYJQFMGNK-UHFFFAOYSA-N
XLogP-1.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 5-1.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)?
The IUPAC name of dialuminum;carbanide;bis(2-(dimethylamino)ethanolate) (CID 15978004) is dialuminum;carbanide;bis(2-(dimethylamino)ethanolate).
What is the SMILES notation for dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)?
The canonical SMILES for dialuminum;carbanide;bis(2-(dimethylamino)ethanolate) is CN(C)CC[O-].CN(C)CC[O-].[Al+3].[Al+3].[CH3-].[CH3-].[CH3-].[CH3-].
What is the InChIKey of dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)?
The InChIKey is XDZMZXYJQFMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10NO.4CH3.2Al/c2*1-5(2)3-4-6;;;;;;/h2*3-4H2,1-2H3;4*1H3;;/q6*-1;2*+3.
What are the key properties of dialuminum;carbanide;bis(2-(dimethylamino)ethanolate)?
dialuminum;carbanide;bis(2-(dimethylamino)ethanolate) has a molecular weight of 290.36 g/mol, XLogP of -1.14, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dialuminum;carbanide;bis(2-(dimethylamino)ethanolate) is sourced from PubChem (CID 15978004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).