2-methoxyethoxy(dimethyl)alumane

C5H13AlO2 — CID 16689650

IUPAC2-methoxyethoxy(dimethyl)alumane
SMILESCOCCO[Al](C)C
InChIInChI=1S/C3H7O2.2CH3.Al/c1-5-3-2-4;;;/h2-3H2,1H3;2*1H3;/q-1;;;+1
InChIKeyPHFUBNHIGJRPQZ-UHFFFAOYSA-N
MW132.14 g/mol
LogP0.90
Rot. Bonds4

About 2-methoxyethoxy(dimethyl)alumane

2-methoxyethoxy(dimethyl)alumane (PubChem CID 16689650) has the molecular formula C5H13AlO2 and a molecular weight of 132.14 g/mol. Its IUPAC name is 2-methoxyethoxy(dimethyl)alumane.

Molecular Properties

Compound Name2-methoxyethoxy(dimethyl)alumane
PubChem CID16689650
Molecular FormulaC5H13AlO2
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC Name2-methoxyethoxy(dimethyl)alumane
SMILESCOCCO[Al](C)C
InChIInChI=1S/C3H7O2.2CH3.Al/c1-5-3-2-4;;;/h2-3H2,1H3;2*1H3;/q-1;;;+1
InChIKeyPHFUBNHIGJRPQZ-UHFFFAOYSA-N
XLogP0.90
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 50.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methoxyethoxy(dimethyl)alumane 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 2-methoxyethoxy(dimethyl)alumane?
The IUPAC name of 2-methoxyethoxy(dimethyl)alumane (CID 16689650) is 2-methoxyethoxy(dimethyl)alumane.
What is the SMILES notation for 2-methoxyethoxy(dimethyl)alumane?
The canonical SMILES for 2-methoxyethoxy(dimethyl)alumane is COCCO[Al](C)C.
What is the InChIKey of 2-methoxyethoxy(dimethyl)alumane?
The InChIKey is PHFUBNHIGJRPQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7O2.2CH3.Al/c1-5-3-2-4;;;/h2-3H2,1H3;2*1H3;/q-1;;;+1.
What are the key properties of 2-methoxyethoxy(dimethyl)alumane?
2-methoxyethoxy(dimethyl)alumane has a molecular weight of 132.14 g/mol, XLogP of 0.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethoxy(dimethyl)alumane is sourced from PubChem (CID 16689650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).