sodium;bis(2-methoxyethanol);oxido(oxo)alumane

C6H16AlNaO6 — CID 173469763

IUPACsodium;bis(2-methoxyethanol);oxido(oxo)alumane
SMILESCOCCO.COCCO.O=[Al][O-].[Na+]
InChIInChI=1S/2C3H8O2.Al.Na.2O/c2*1-5-3-2-4;;;;/h2*4H,2-3H2,1H3;;;;/q;;;+1;;-1
InChIKeyNQOFYBXPSQXQAD-UHFFFAOYSA-N
MW234.16 g/mol
LogP-5.43
Rot. Bonds4

About sodium;bis(2-methoxyethanol);oxido(oxo)alumane

sodium;bis(2-methoxyethanol);oxido(oxo)alumane (PubChem CID 173469763) has the molecular formula C6H16AlNaO6 and a molecular weight of 234.16 g/mol. Its IUPAC name is sodium;bis(2-methoxyethanol);oxido(oxo)alumane.

Molecular Properties

Compound Namesodium;bis(2-methoxyethanol);oxido(oxo)alumane
PubChem CID173469763
Molecular FormulaC6H16AlNaO6
Molecular Weight234.16 g/mol
Exact Mass234.07
IUPAC Namesodium;bis(2-methoxyethanol);oxido(oxo)alumane
SMILESCOCCO.COCCO.O=[Al][O-].[Na+]
InChIInChI=1S/2C3H8O2.Al.Na.2O/c2*1-5-3-2-4;;;;/h2*4H,2-3H2,1H3;;;;/q;;;+1;;-1
InChIKeyNQOFYBXPSQXQAD-UHFFFAOYSA-N
XLogP-5.43
TPSA99.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.16
LogP ≤ 5-5.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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sodium 2-methoxyethanol
CID 21124383
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1,2-dimethoxyethane;ethane-1,2-diol;tris(2-methoxyethanol)
CID 160893759
dimethylsilane;2-methoxyethanol
CID 174782781
2-methoxyethanol;methyl hydrogen carbonate
CID 160714037
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CID 88639054
dichloronickel;2-methoxyethanol
CID 175069984
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CID 175910889
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CID 86669059

Frequently Asked Questions

What is the IUPAC name of sodium;bis(2-methoxyethanol);oxido(oxo)alumane?
The IUPAC name of sodium;bis(2-methoxyethanol);oxido(oxo)alumane (CID 173469763) is sodium;bis(2-methoxyethanol);oxido(oxo)alumane.
What is the SMILES notation for sodium;bis(2-methoxyethanol);oxido(oxo)alumane?
The canonical SMILES for sodium;bis(2-methoxyethanol);oxido(oxo)alumane is COCCO.COCCO.O=[Al][O-].[Na+].
What is the InChIKey of sodium;bis(2-methoxyethanol);oxido(oxo)alumane?
The InChIKey is NQOFYBXPSQXQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H8O2.Al.Na.2O/c2*1-5-3-2-4;;;;/h2*4H,2-3H2,1H3;;;;/q;;;+1;;-1.
What are the key properties of sodium;bis(2-methoxyethanol);oxido(oxo)alumane?
sodium;bis(2-methoxyethanol);oxido(oxo)alumane has a molecular weight of 234.16 g/mol, XLogP of -5.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(2-methoxyethanol);oxido(oxo)alumane is sourced from PubChem (CID 173469763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).