sodium;1,2-dimethoxyethoxyalumane;hydride

C4H12AlNaO3 — CID 173040262

IUPACsodium;1,2-dimethoxyethoxyalumane;hydride
SMILESCOCC(OC)O[AlH2].[H-].[Na+]
InChIInChI=1S/C4H9O3.Al.Na.3H/c1-6-3-4(5)7-2;;;;;/h4H,3H2,1-2H3;;;;;/q-1;2*+1;;;-1
InChIKeyNCWMDMIZVULZLB-UHFFFAOYSA-N
MW158.11 g/mol
LogP-3.71
Rot. Bonds4

About sodium;1,2-dimethoxyethoxyalumane;hydride

sodium;1,2-dimethoxyethoxyalumane;hydride (PubChem CID 173040262) has the molecular formula C4H12AlNaO3 and a molecular weight of 158.11 g/mol. Its IUPAC name is sodium;1,2-dimethoxyethoxyalumane;hydride.

Molecular Properties

Compound Namesodium;1,2-dimethoxyethoxyalumane;hydride
PubChem CID173040262
Molecular FormulaC4H12AlNaO3
Molecular Weight158.11 g/mol
Exact Mass158.05
IUPAC Namesodium;1,2-dimethoxyethoxyalumane;hydride
SMILESCOCC(OC)O[AlH2].[H-].[Na+]
InChIInChI=1S/C4H9O3.Al.Na.3H/c1-6-3-4(5)7-2;;;;;/h4H,3H2,1-2H3;;;;;/q-1;2*+1;;;-1
InChIKeyNCWMDMIZVULZLB-UHFFFAOYSA-N
XLogP-3.71
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-3.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;1,2-dimethoxyethoxyalumane;hydride?
The IUPAC name of sodium;1,2-dimethoxyethoxyalumane;hydride (CID 173040262) is sodium;1,2-dimethoxyethoxyalumane;hydride.
What is the SMILES notation for sodium;1,2-dimethoxyethoxyalumane;hydride?
The canonical SMILES for sodium;1,2-dimethoxyethoxyalumane;hydride is COCC(OC)O[AlH2].[H-].[Na+].
What is the InChIKey of sodium;1,2-dimethoxyethoxyalumane;hydride?
The InChIKey is NCWMDMIZVULZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3.Al.Na.3H/c1-6-3-4(5)7-2;;;;;/h4H,3H2,1-2H3;;;;;/q-1;2*+1;;;-1.
What are the key properties of sodium;1,2-dimethoxyethoxyalumane;hydride?
sodium;1,2-dimethoxyethoxyalumane;hydride has a molecular weight of 158.11 g/mol, XLogP of -3.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-dimethoxyethoxyalumane;hydride is sourced from PubChem (CID 173040262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).