dipropoxyalumanylium

C6H14AlO2+ — CID 19596837

IUPACdipropoxyalumanylium
SMILESCCCO[Al+]OCCC
InChIInChI=1S/2C3H7O.Al/c2*1-2-3-4;/h2*2-3H2,1H3;/q2*-1;+3
InChIKeyZEUDWVUINHNHJO-UHFFFAOYSA-N
MW145.16 g/mol
LogP1.37
Rot. Bonds6

About dipropoxyalumanylium

dipropoxyalumanylium (PubChem CID 19596837) has the molecular formula C6H14AlO2+ and a molecular weight of 145.16 g/mol. Its IUPAC name is dipropoxyalumanylium.

Molecular Properties

Compound Namedipropoxyalumanylium
PubChem CID19596837
Molecular FormulaC6H14AlO2+
Molecular Weight145.16 g/mol
Exact Mass145.08
IUPAC Namedipropoxyalumanylium
SMILESCCCO[Al+]OCCC
InChIInChI=1S/2C3H7O.Al/c2*1-2-3-4;/h2*2-3H2,1H3;/q2*-1;+3
InChIKeyZEUDWVUINHNHJO-UHFFFAOYSA-N
XLogP1.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 dipropoxyalumanylium?
The IUPAC name of dipropoxyalumanylium (CID 19596837) is dipropoxyalumanylium.
What is the SMILES notation for dipropoxyalumanylium?
The canonical SMILES for dipropoxyalumanylium is CCCO[Al+]OCCC.
What is the InChIKey of dipropoxyalumanylium?
The InChIKey is ZEUDWVUINHNHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H7O.Al/c2*1-2-3-4;/h2*2-3H2,1H3;/q2*-1;+3.
What are the key properties of dipropoxyalumanylium?
dipropoxyalumanylium has a molecular weight of 145.16 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dipropoxyalumanylium is sourced from PubChem (CID 19596837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).