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Bis(2-methoxyethoxy)alumanylium

An ether, C6H14AlO4+, 177.156 g/mol.

verified record, Organic — ether

Identifiers

Molecular formula
C₆H₁₄AlO₄+
Molecular weight
177.156 g/mol
Exact mass
177.070199 g/mol
IUPAC name
bis(2-methoxyethoxy)alumanylium
SMILES
COCCO[Al+]OCCOC
InChI
InChI=1S/2C3H7O2.Al/c2*1-5-3-2-4;/h2*2-3H2,1H3;/q2*-1;+3
InChIKey
KDUOMUFZFLEAHR-UHFFFAOYSA-N
Open in ReactionLensUse in reaction prediction

Calculated properties

Derived from the structure, not from a sample; kept apart from the measurements above.

Molecular weight
177.15 g/molcalculated · reference compound database
Average mass of one molecule, from reference compound database.
Exact mass
177.0707473 Dacalculated · reference compound database
Mass of the most common isotopic form.
Polar surface area
36.9 Ųcalculated · reference compound database
Polar surface area as computed by reference compound database.
Complexity
63calculated · reference compound database
A rough measure of how intricate the structure is.
H-bond donors
0calculated · reference compound database
H-bond acceptors
4calculated · reference compound database
logP
-0.1534calculated · chemistry engine
Estimated preference for oil over water. Higher means more oil-like.
Topological polar surface area
36.92 Ųcalculated · chemistry engine
Surface area from polar atoms; relates to how easily a molecule crosses membranes.
H-bond donors
0calculated · chemistry engine
Atoms that can donate a hydrogen bond.
H-bond acceptors
4calculated · chemistry engine
Atoms that can accept a hydrogen bond.
Rotatable bonds
8calculated · chemistry engine
Single bonds the molecule can freely twist around.
Molar refractivity
41.41 cm³/molcalculated · chemistry engine
Relates to the molecule's polarisability.
Fraction sp³ carbons
1calculated · chemistry engine
Share of carbon atoms with tetrahedral bonding.
QED drug-likeness
0.3813calculated · chemistry engine
Quantitative estimate of drug-likeness (0–1).

What it is made of

Elements

    Percentages are of the molecular weight above, worked out the same way the molar mass calculator does it.

    Structure

    Heavy atoms, hydrogen excluded
    11
    Total atoms, hydrogen included
    25
    Rings
    0
    Aromatic rings
    0
    Stereocentres
    0
    Formal charge
    1

    Functional groups

    • Ether

      An oxygen bridging two carbons.

    Matched by structural pattern, not by a measurement.

    The molecule in three dimensions

    Rotate and inspect the atoms. Loaded only when you ask, so the page stays light.

    The drawing above is a diagram of what is bonded to what. A molecule is not flat, and the model here is one low-energy shape generated from the connectivity — useful for seeing which groups can reach each other, and not a measured structure. A real sample is a population of conformations, interconverting.

    Reactions it appears in

    No documented reaction with a written procedure and a source involves Bis(2-methoxyethoxy)alumanylium yet.

    Other names for it

    The systematic name on this record is bis(2-methoxyethoxy)alumanylium.

    Structurally related

    Molecules sharing this formula, or whose fingerprint is at least 40% similar to this one. Similarity is Tanimoto on Morgan fingerprints over this library only — it is a measure of structural overlap, not of how alike they behave.

    1,2-Dimethoxyethane

    C4H10O2

    Seen alongside it in reaction records

    Molecules that appear in the same recorded reactions as Bis(2-methoxyethoxy)alumanylium. This says nothing about structure: most of them are the bases, solvents, ligands and catalysts the chemistry needed, and they are here because somebody put them in the same flask.

    (2RS,11bSR)-N-methyl-2-(2-methylamino-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-yl)acetamide

    used as a reactant

    C₁₇H₂₅N₃O, 287.407 g/mol.

    (3-Benzylphenyl)methanamine

    formed as a product

    C₁₄H₁₅N, 197.281 g/mol.

    1,3-dimethyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

    formed as a product

    C₈H₁₁NS, 153.25 g/mol.

    1,3-Dimethyl-5-tosyl-5,6-dihydro-4H-thieno[3,4-c]pyrrole

    used as a reactant

    C₁₅H₁₇NO₂S₂, 307.44 g/mol.

    (2RS,11bSR)-2-methylamino-2-(2-methylaminoethyl)-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizine

    formed as a product

    C₁₇H₂₇N₃, 273.424 g/mol.

    Where these values came from

    compound record.

    What this page does not claim

    Identifiers are copied from the source record, measured values are reported as published, and calculated values are marked as calculated. Nothing here is a hazard, purity or handling assessment — how the library is checked.

    Where to next

    More molecules under B

    The rest of this shelf, a hundred names at a time.

    Molar mass calculator

    Work with C6H14AlO4+ in a calculation, with every element's contribution shown.

    Molarity calculator

    Grams of Bis(2-methoxyethoxy)alumanylium for a volume and a concentration, or the concentration a mass gives.

    Open in ReactionLens

    The full record in the workstation: every atom, every bond, and the reactions it appears in.