ethoxy-methyl-(oxiran-2-yl)alumane

C5H11AlO2 — CID 58833483

IUPACethoxy-methyl-(oxiran-2-yl)alumane
SMILESCCO[Al](C)C1CO1
InChIInChI=1S/C2H3O.C2H5O.CH3.Al/c1-2-3-1;1-2-3;;/h1H,2H2;2H2,1H3;1H3;/q;-1;;+1
InChIKeyATUYGSOCCYRIIZ-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.58
Rot. Bonds3

About ethoxy-methyl-(oxiran-2-yl)alumane

ethoxy-methyl-(oxiran-2-yl)alumane (PubChem CID 58833483) has the molecular formula C5H11AlO2 and a molecular weight of 130.12 g/mol. Its IUPAC name is ethoxy-methyl-(oxiran-2-yl)alumane.

Molecular Properties

Compound Nameethoxy-methyl-(oxiran-2-yl)alumane
PubChem CID58833483
Molecular FormulaC5H11AlO2
Molecular Weight130.12 g/mol
Exact Mass130.06
IUPAC Nameethoxy-methyl-(oxiran-2-yl)alumane
SMILESCCO[Al](C)C1CO1
InChIInChI=1S/C2H3O.C2H5O.CH3.Al/c1-2-3-1;1-2-3;;/h1H,2H2;2H2,1H3;1H3;/q;-1;;+1
InChIKeyATUYGSOCCYRIIZ-UHFFFAOYSA-N
XLogP0.58
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxy-methyl-(oxiran-2-yl)alumane?
The IUPAC name of ethoxy-methyl-(oxiran-2-yl)alumane (CID 58833483) is ethoxy-methyl-(oxiran-2-yl)alumane.
What is the SMILES notation for ethoxy-methyl-(oxiran-2-yl)alumane?
The canonical SMILES for ethoxy-methyl-(oxiran-2-yl)alumane is CCO[Al](C)C1CO1.
What is the InChIKey of ethoxy-methyl-(oxiran-2-yl)alumane?
The InChIKey is ATUYGSOCCYRIIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.C2H5O.CH3.Al/c1-2-3-1;1-2-3;;/h1H,2H2;2H2,1H3;1H3;/q;-1;;+1.
What are the key properties of ethoxy-methyl-(oxiran-2-yl)alumane?
ethoxy-methyl-(oxiran-2-yl)alumane has a molecular weight of 130.12 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-methyl-(oxiran-2-yl)alumane is sourced from PubChem (CID 58833483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).