sodium;bis(1-ethoxyethoxy)alumanylium;hydride

C8H20AlNaO4 — CID 19861414

IUPACsodium;bis(1-ethoxyethoxy)alumanylium;hydride
SMILESCCOC(C)O[Al+]OC(C)OCC.[H-].[H-].[Na+]
InChIInChI=1S/2C4H9O2.Al.Na.2H/c2*1-3-6-4(2)5;;;;/h2*4H,3H2,1-2H3;;;;/q2*-1;+3;+1;2*-1
InChIKeyYXFUTHPJEWGPLD-UHFFFAOYSA-N
MW230.22 g/mol
LogP-1.45
Rot. Bonds8

About sodium;bis(1-ethoxyethoxy)alumanylium;hydride

sodium;bis(1-ethoxyethoxy)alumanylium;hydride (PubChem CID 19861414) has the molecular formula C8H20AlNaO4 and a molecular weight of 230.22 g/mol. Its IUPAC name is sodium;bis(1-ethoxyethoxy)alumanylium;hydride.

Molecular Properties

Compound Namesodium;bis(1-ethoxyethoxy)alumanylium;hydride
PubChem CID19861414
Molecular FormulaC8H20AlNaO4
Molecular Weight230.22 g/mol
Exact Mass230.11
IUPAC Namesodium;bis(1-ethoxyethoxy)alumanylium;hydride
SMILESCCOC(C)O[Al+]OC(C)OCC.[H-].[H-].[Na+]
InChIInChI=1S/2C4H9O2.Al.Na.2H/c2*1-3-6-4(2)5;;;;/h2*4H,3H2,1-2H3;;;;/q2*-1;+3;+1;2*-1
InChIKeyYXFUTHPJEWGPLD-UHFFFAOYSA-N
XLogP-1.45
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 5-1.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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;bis(1-ethoxyethoxy)alumanylium;hydride?
The IUPAC name of sodium;bis(1-ethoxyethoxy)alumanylium;hydride (CID 19861414) is sodium;bis(1-ethoxyethoxy)alumanylium;hydride.
What is the SMILES notation for sodium;bis(1-ethoxyethoxy)alumanylium;hydride?
The canonical SMILES for sodium;bis(1-ethoxyethoxy)alumanylium;hydride is CCOC(C)O[Al+]OC(C)OCC.[H-].[H-].[Na+].
What is the InChIKey of sodium;bis(1-ethoxyethoxy)alumanylium;hydride?
The InChIKey is YXFUTHPJEWGPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9O2.Al.Na.2H/c2*1-3-6-4(2)5;;;;/h2*4H,3H2,1-2H3;;;;/q2*-1;+3;+1;2*-1.
What are the key properties of sodium;bis(1-ethoxyethoxy)alumanylium;hydride?
sodium;bis(1-ethoxyethoxy)alumanylium;hydride has a molecular weight of 230.22 g/mol, XLogP of -1.45, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;bis(1-ethoxyethoxy)alumanylium;hydride is sourced from PubChem (CID 19861414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).