pentan-3-ylaluminum(2+) diiodide

C5H11AlI2 — CID 88842100

IUPACpentan-3-ylaluminum(2+) diiodide
SMILESCCC([Al+2])CC.[I-].[I-]
InChIInChI=1S/C5H11.Al.2HI/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyJVVLHUMONXTUED-UHFFFAOYSA-L
MW351.93 g/mol
LogP-4.23
Rot. Bonds2

About pentan-3-ylaluminum(2+) diiodide

pentan-3-ylaluminum(2+) diiodide (PubChem CID 88842100) has the molecular formula C5H11AlI2 and a molecular weight of 351.93 g/mol. Its IUPAC name is pentan-3-ylaluminum(2+) diiodide.

Molecular Properties

Compound Namepentan-3-ylaluminum(2+) diiodide
PubChem CID88842100
Molecular FormulaC5H11AlI2
Molecular Weight351.93 g/mol
Exact Mass351.88
IUPAC Namepentan-3-ylaluminum(2+) diiodide
SMILESCCC([Al+2])CC.[I-].[I-]
InChIInChI=1S/C5H11.Al.2HI/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyJVVLHUMONXTUED-UHFFFAOYSA-L
XLogP-4.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.93
LogP ≤ 5-4.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentan-3-ylaluminum(2+) diiodide?
The IUPAC name of pentan-3-ylaluminum(2+) diiodide (CID 88842100) is pentan-3-ylaluminum(2+) diiodide.
What is the SMILES notation for pentan-3-ylaluminum(2+) diiodide?
The canonical SMILES for pentan-3-ylaluminum(2+) diiodide is CCC([Al+2])CC.[I-].[I-].
What is the InChIKey of pentan-3-ylaluminum(2+) diiodide?
The InChIKey is JVVLHUMONXTUED-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11.Al.2HI/c1-3-5-4-2;;;/h5H,3-4H2,1-2H3;;2*1H/q;+2;;/p-2.
What are the key properties of pentan-3-ylaluminum(2+) diiodide?
pentan-3-ylaluminum(2+) diiodide has a molecular weight of 351.93 g/mol, XLogP of -4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-ylaluminum(2+) diiodide is sourced from PubChem (CID 88842100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).