sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride

C8H20AlNaO5 — CID 173166942

IUPACsodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride
SMILESCOCCOCC(O[AlH2])OCCOC.[H-].[Na+]
InChIInChI=1S/C8H17O5.Al.Na.3H/c1-10-3-5-12-7-8(9)13-6-4-11-2;;;;;/h8H,3-7H2,1-2H3;;;;;/q-1;2*+1;;;-1
InChIKeyMNQSOMVXPDSCSG-UHFFFAOYSA-N
MW246.21 g/mol
LogP-3.68
Rot. Bonds10

About sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride

sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride (PubChem CID 173166942) has the molecular formula C8H20AlNaO5 and a molecular weight of 246.21 g/mol. Its IUPAC name is sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride.

Molecular Properties

Compound Namesodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride
PubChem CID173166942
Molecular FormulaC8H20AlNaO5
Molecular Weight246.21 g/mol
Exact Mass246.10
IUPAC Namesodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride
SMILESCOCCOCC(O[AlH2])OCCOC.[H-].[Na+]
InChIInChI=1S/C8H17O5.Al.Na.3H/c1-10-3-5-12-7-8(9)13-6-4-11-2;;;;;/h8H,3-7H2,1-2H3;;;;;/q-1;2*+1;;;-1
InChIKeyMNQSOMVXPDSCSG-UHFFFAOYSA-N
XLogP-3.68
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 5-3.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

sodium;1,2-dimethoxyethoxyalumane;hydride
CID 173040262
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
2-(2-methoxyethoxy)-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57080200
1-(2,2-dimethoxyethoxy)-3-(2-methoxyethoxy)propane
CID 103403802
lithium bis(1-methoxy-2-(2-methoxyethoxy)ethane)
CID 5257331
triethyl-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]phosphanium
CID 149435050
(2S)-1-[2-(2-methoxyethoxy)ethoxy]propan-2-amine
CID 104560725
2-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethanol
CID 57305143
1-methoxy-1-(2-methoxyethoxy)propane
CID 139725364
4-methoxy-3-[2-(2-methoxyethoxy)ethoxy]butan-1-ol
CID 87736980
1-(2-methoxyethoxy)butan-2-ol
CID 20514540
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189

Frequently Asked Questions

What is the IUPAC name of sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride?
The IUPAC name of sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride (CID 173166942) is sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride.
What is the SMILES notation for sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride?
The canonical SMILES for sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride is COCCOCC(O[AlH2])OCCOC.[H-].[Na+].
What is the InChIKey of sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride?
The InChIKey is MNQSOMVXPDSCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17O5.Al.Na.3H/c1-10-3-5-12-7-8(9)13-6-4-11-2;;;;;/h8H,3-7H2,1-2H3;;;;;/q-1;2*+1;;;-1.
What are the key properties of sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride?
sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride has a molecular weight of 246.21 g/mol, XLogP of -3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride is sourced from PubChem (CID 173166942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).