pentoxyaluminum(2+)

C5H11AlO+2 — CID 19936989

IUPACpentoxyaluminum(2+)
SMILESCCCCCO[Al+2]
InChIInChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+3
InChIKeyIVYQBXUGSWRUGY-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.28
Rot. Bonds4

About pentoxyaluminum(2+)

pentoxyaluminum(2+) (PubChem CID 19936989) has the molecular formula C5H11AlO+2 and a molecular weight of 114.12 g/mol. Its IUPAC name is pentoxyaluminum(2+).

Molecular Properties

Compound Namepentoxyaluminum(2+)
PubChem CID19936989
Molecular FormulaC5H11AlO+2
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Namepentoxyaluminum(2+)
SMILESCCCCCO[Al+2]
InChIInChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+3
InChIKeyIVYQBXUGSWRUGY-UHFFFAOYSA-N
XLogP1.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentoxyaluminum(2+)?
The IUPAC name of pentoxyaluminum(2+) (CID 19936989) is pentoxyaluminum(2+).
What is the SMILES notation for pentoxyaluminum(2+)?
The canonical SMILES for pentoxyaluminum(2+) is CCCCCO[Al+2].
What is the InChIKey of pentoxyaluminum(2+)?
The InChIKey is IVYQBXUGSWRUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11O.Al/c1-2-3-4-5-6;/h2-5H2,1H3;/q-1;+3.
What are the key properties of pentoxyaluminum(2+)?
pentoxyaluminum(2+) has a molecular weight of 114.12 g/mol, XLogP of 1.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxyaluminum(2+) is sourced from PubChem (CID 19936989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).