sodium bis(1-methoxyethoxy)alumanuide

C6H16AlNaO4 — CID 88800672

IUPACsodium bis(1-methoxyethoxy)alumanuide
SMILESCOC(C)O[AlH2-]OC(C)OC.[Na+]
InChIInChI=1S/2C3H7O2.Al.Na.2H/c2*1-3(4)5-2;;;;/h2*3H,1-2H3;;;;/q2*-1;2*+1;;
InChIKeyRDPYZBLNZFWXMN-UHFFFAOYSA-N
MW202.16 g/mol
LogP-2.99
Rot. Bonds6

About sodium bis(1-methoxyethoxy)alumanuide

sodium bis(1-methoxyethoxy)alumanuide (PubChem CID 88800672) has the molecular formula C6H16AlNaO4 and a molecular weight of 202.16 g/mol. Its IUPAC name is sodium bis(1-methoxyethoxy)alumanuide.

Molecular Properties

Compound Namesodium bis(1-methoxyethoxy)alumanuide
PubChem CID88800672
Molecular FormulaC6H16AlNaO4
Molecular Weight202.16 g/mol
Exact Mass202.08
IUPAC Namesodium bis(1-methoxyethoxy)alumanuide
SMILESCOC(C)O[AlH2-]OC(C)OC.[Na+]
InChIInChI=1S/2C3H7O2.Al.Na.2H/c2*1-3(4)5-2;;;;/h2*3H,1-2H3;;;;/q2*-1;2*+1;;
InChIKeyRDPYZBLNZFWXMN-UHFFFAOYSA-N
XLogP-2.99
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.16
LogP ≤ 5-2.99
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-methoxyethoxy)alumanuide?
The IUPAC name of sodium bis(1-methoxyethoxy)alumanuide (CID 88800672) is sodium bis(1-methoxyethoxy)alumanuide.
What is the SMILES notation for sodium bis(1-methoxyethoxy)alumanuide?
The canonical SMILES for sodium bis(1-methoxyethoxy)alumanuide is COC(C)O[AlH2-]OC(C)OC.[Na+].
What is the InChIKey of sodium bis(1-methoxyethoxy)alumanuide?
The InChIKey is RDPYZBLNZFWXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al.Na.2H/c2*1-3(4)5-2;;;;/h2*3H,1-2H3;;;;/q2*-1;2*+1;;.
What are the key properties of sodium bis(1-methoxyethoxy)alumanuide?
sodium bis(1-methoxyethoxy)alumanuide has a molecular weight of 202.16 g/mol, XLogP of -2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium bis(1-methoxyethoxy)alumanuide is sourced from PubChem (CID 88800672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).