1,1-dimethoxyethoxyaluminum(2+);hydride

C4H11AlO3 — CID 174051536

IUPAC1,1-dimethoxyethoxyaluminum(2+);hydride
SMILESCOC(C)(OC)O[Al+2].[H-].[H-]
InChIInChI=1S/C4H9O3.Al.2H/c1-4(5,6-2)7-3;;;/h1-3H3;;;/q-1;+3;2*-1
InChIKeyUTZHKZXSSLUSIT-UHFFFAOYSA-N
MW134.11 g/mol
LogP0.28
Rot. Bonds3

About 1,1-dimethoxyethoxyaluminum(2+);hydride

1,1-dimethoxyethoxyaluminum(2+);hydride (PubChem CID 174051536) has the molecular formula C4H11AlO3 and a molecular weight of 134.11 g/mol. Its IUPAC name is 1,1-dimethoxyethoxyaluminum(2+);hydride.

Molecular Properties

Compound Name1,1-dimethoxyethoxyaluminum(2+);hydride
PubChem CID174051536
Molecular FormulaC4H11AlO3
Molecular Weight134.11 g/mol
Exact Mass134.05
IUPAC Name1,1-dimethoxyethoxyaluminum(2+);hydride
SMILESCOC(C)(OC)O[Al+2].[H-].[H-]
InChIInChI=1S/C4H9O3.Al.2H/c1-4(5,6-2)7-3;;;/h1-3H3;;;/q-1;+3;2*-1
InChIKeyUTZHKZXSSLUSIT-UHFFFAOYSA-N
XLogP0.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.11
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trimethoxyethane;hydrochloride
CID 162313346
2-methoxy-2-methylpropane;hydrate
CID 23212559
hydron;2-methoxy-2-methylpropane
CID 174107716
1-(1,1-dimethoxyethoxymethoxymethoxy)-1,1-dimethoxyethane
CID 87697718
(Z)-1-(1,1-dimethoxyethoxy)prop-1-ene
CID 5463433
hydrazine;2-methoxy-2-methylpropane
CID 158568740
2,2-dimethoxypropane;methane
CID 162063722
2,3-difluoro-2,3-dimethoxybutane
CID 174333179
2-(1,1-dimethoxyethoxy)ethanamine
CID 162353967
2-methoxy-2-methylpropane;pentane
CID 22145886
1,1,1-trimethoxy-3,3-dimethylbutane
CID 63890888
2,2-dimethyl-1-methylperoxypropane
CID 59465078

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethoxyethoxyaluminum(2+);hydride?
The IUPAC name of 1,1-dimethoxyethoxyaluminum(2+);hydride (CID 174051536) is 1,1-dimethoxyethoxyaluminum(2+);hydride.
What is the SMILES notation for 1,1-dimethoxyethoxyaluminum(2+);hydride?
The canonical SMILES for 1,1-dimethoxyethoxyaluminum(2+);hydride is COC(C)(OC)O[Al+2].[H-].[H-].
What is the InChIKey of 1,1-dimethoxyethoxyaluminum(2+);hydride?
The InChIKey is UTZHKZXSSLUSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3.Al.2H/c1-4(5,6-2)7-3;;;/h1-3H3;;;/q-1;+3;2*-1.
What are the key properties of 1,1-dimethoxyethoxyaluminum(2+);hydride?
1,1-dimethoxyethoxyaluminum(2+);hydride has a molecular weight of 134.11 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethoxyethoxyaluminum(2+);hydride is sourced from PubChem (CID 174051536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).