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'}

Analyze 1,2-dimethoxyethoxyalumane;molecular hydrogen with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).