sodium;methanolate;trimethoxyalumane

C4H12AlNaO4 — CID 139799787

IUPACsodium;methanolate;trimethoxyalumane
SMILESCO[Al](OC)OC.C[O-].[Na+]
InChIInChI=1S/4CH3O.Al.Na/c4*1-2;;/h4*1H3;;/q4*-1;+3;+1
InChIKeyJTXLLJGEKOMTDQ-UHFFFAOYSA-N
MW174.11 g/mol
LogP-4.11
Rot. Bonds3

About sodium;methanolate;trimethoxyalumane

sodium;methanolate;trimethoxyalumane (PubChem CID 139799787) has the molecular formula C4H12AlNaO4 and a molecular weight of 174.11 g/mol. Its IUPAC name is sodium;methanolate;trimethoxyalumane.

Molecular Properties

Compound Namesodium;methanolate;trimethoxyalumane
PubChem CID139799787
Molecular FormulaC4H12AlNaO4
Molecular Weight174.11 g/mol
Exact Mass174.04
IUPAC Namesodium;methanolate;trimethoxyalumane
SMILESCO[Al](OC)OC.C[O-].[Na+]
InChIInChI=1S/4CH3O.Al.Na/c4*1-2;;/h4*1H3;;/q4*-1;+3;+1
InChIKeyJTXLLJGEKOMTDQ-UHFFFAOYSA-N
XLogP-4.11
TPSA50.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.11
LogP ≤ 5-4.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of sodium;methanolate;trimethoxyalumane?
The IUPAC name of sodium;methanolate;trimethoxyalumane (CID 139799787) is sodium;methanolate;trimethoxyalumane.
What is the SMILES notation for sodium;methanolate;trimethoxyalumane?
The canonical SMILES for sodium;methanolate;trimethoxyalumane is CO[Al](OC)OC.C[O-].[Na+].
What is the InChIKey of sodium;methanolate;trimethoxyalumane?
The InChIKey is JTXLLJGEKOMTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH3O.Al.Na/c4*1-2;;/h4*1H3;;/q4*-1;+3;+1.
What are the key properties of sodium;methanolate;trimethoxyalumane?
sodium;methanolate;trimethoxyalumane has a molecular weight of 174.11 g/mol, XLogP of -4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;methanolate;trimethoxyalumane is sourced from PubChem (CID 139799787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).