1,2-dimethoxyethoxyalumane;molecular hydrogen

C4H13AlO3 — CID 175246943

IUPAC1,2-dimethoxyethoxyalumane;molecular hydrogen
SMILESCOCC(OC)O[AlH2].[H][H]
InChIInChI=1S/C4H9O3.Al.H2.2H/c1-6-3-4(5)7-2;;;;/h4H,3H2,1-2H3;;1H;;/q-1;+1;;;
InChIKeyLUGHZCPYOXXUJZ-UHFFFAOYSA-N
MW136.13 g/mol
LogP-0.58
Rot. Bonds4

About 1,2-dimethoxyethoxyalumane;molecular hydrogen

1,2-dimethoxyethoxyalumane;molecular hydrogen (PubChem CID 175246943) has the molecular formula C4H13AlO3 and a molecular weight of 136.13 g/mol. Its IUPAC name is 1,2-dimethoxyethoxyalumane;molecular hydrogen.

Molecular Properties

Compound Name1,2-dimethoxyethoxyalumane;molecular hydrogen
PubChem CID175246943
Molecular FormulaC4H13AlO3
Molecular Weight136.13 g/mol
Exact Mass136.07
IUPAC Name1,2-dimethoxyethoxyalumane;molecular hydrogen
SMILESCOCC(OC)O[AlH2].[H][H]
InChIInChI=1S/C4H9O3.Al.H2.2H/c1-6-3-4(5)7-2;;;;/h4H,3H2,1-2H3;;1H;;/q-1;+1;;;
InChIKeyLUGHZCPYOXXUJZ-UHFFFAOYSA-N
XLogP-0.58
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.13
LogP ≤ 5-0.58
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

sodium;1,2-dimethoxyethoxyalumane;hydride
CID 173040262
tris(1,2-dimethoxyethyl) borate
CID 175400183
1-(dimethoxymethoxy)-1,2-dimethoxyethane
CID 154193438
CID 172811709
CID 172811709
sodium;1,2-bis(2-methoxyethoxy)ethoxyalumane;hydride
CID 173166942
1,2-dimethoxyethoxy(ethylidene)silane
CID 173054321
1,1-dimethoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 14433926
1,2-dimethoxyethoxyurea
CID 87600210
lithium;hydride;1-methoxyethoxyalumane;molecular hydrogen
CID 174702312
2-(2,2-dimethoxyethoxy)-1,1-dimethoxyethane;hydrate
CID 131726685
[(2R)-2,3-dimethoxypropyl] methanesulfonate
CID 124582874
(2S)-2,3-dimethoxypropanal
CID 12962856

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxyethoxyalumane;molecular hydrogen?
The IUPAC name of 1,2-dimethoxyethoxyalumane;molecular hydrogen (CID 175246943) is 1,2-dimethoxyethoxyalumane;molecular hydrogen.
What is the SMILES notation for 1,2-dimethoxyethoxyalumane;molecular hydrogen?
The canonical SMILES for 1,2-dimethoxyethoxyalumane;molecular hydrogen is COCC(OC)O[AlH2].[H][H].
What is the InChIKey of 1,2-dimethoxyethoxyalumane;molecular hydrogen?
The InChIKey is LUGHZCPYOXXUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3.Al.H2.2H/c1-6-3-4(5)7-2;;;;/h4H,3H2,1-2H3;;1H;;/q-1;+1;;;.
What are the key properties of 1,2-dimethoxyethoxyalumane;molecular hydrogen?
1,2-dimethoxyethoxyalumane;molecular hydrogen has a molecular weight of 136.13 g/mol, XLogP of -0.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxyethoxyalumane;molecular hydrogen is sourced from PubChem (CID 175246943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).