bis(1-methoxyethoxy)alumanylium;hydride

C6H15AlO4 — CID 87949044

IUPACbis(1-methoxyethoxy)alumanylium;hydride
SMILESCOC(C)O[Al+]OC(C)OC.[H-]
InChIInChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+3;-1
InChIKeyHTVUONYGLNKILU-UHFFFAOYSA-N
MW178.16 g/mol
LogP0.65
Rot. Bonds6

About bis(1-methoxyethoxy)alumanylium;hydride

bis(1-methoxyethoxy)alumanylium;hydride (PubChem CID 87949044) has the molecular formula C6H15AlO4 and a molecular weight of 178.16 g/mol. Its IUPAC name is bis(1-methoxyethoxy)alumanylium;hydride.

Molecular Properties

Compound Namebis(1-methoxyethoxy)alumanylium;hydride
PubChem CID87949044
Molecular FormulaC6H15AlO4
Molecular Weight178.16 g/mol
Exact Mass178.08
IUPAC Namebis(1-methoxyethoxy)alumanylium;hydride
SMILESCOC(C)O[Al+]OC(C)OC.[H-]
InChIInChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+3;-1
InChIKeyHTVUONYGLNKILU-UHFFFAOYSA-N
XLogP0.65
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.16
LogP ≤ 50.65
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 bis(1-methoxyethoxy)alumanylium;hydride?
The IUPAC name of bis(1-methoxyethoxy)alumanylium;hydride (CID 87949044) is bis(1-methoxyethoxy)alumanylium;hydride.
What is the SMILES notation for bis(1-methoxyethoxy)alumanylium;hydride?
The canonical SMILES for bis(1-methoxyethoxy)alumanylium;hydride is COC(C)O[Al+]OC(C)OC.[H-].
What is the InChIKey of bis(1-methoxyethoxy)alumanylium;hydride?
The InChIKey is HTVUONYGLNKILU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O2.Al.H/c2*1-3(4)5-2;;/h2*3H,1-2H3;;/q2*-1;+3;-1.
What are the key properties of bis(1-methoxyethoxy)alumanylium;hydride?
bis(1-methoxyethoxy)alumanylium;hydride has a molecular weight of 178.16 g/mol, XLogP of 0.65, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-methoxyethoxy)alumanylium;hydride is sourced from PubChem (CID 87949044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).