di(butan-2-yl)alumanylium iodide

C8H18AlI — CID 18688218

IUPACdi(butan-2-yl)alumanylium iodide
SMILESCCC(C)[Al+]C(C)CC.[I-]
InChIInChI=1S/2C4H9.Al.HI/c2*1-3-4-2;;/h2*3H,4H2,1-2H3;;1H/q;;+1;/p-1
InChIKeyYLRHWUJHFHWHRG-UHFFFAOYSA-M
MW268.12 g/mol
LogP0.13
Rot. Bonds4

About di(butan-2-yl)alumanylium iodide

di(butan-2-yl)alumanylium iodide (PubChem CID 18688218) has the molecular formula C8H18AlI and a molecular weight of 268.12 g/mol. Its IUPAC name is di(butan-2-yl)alumanylium iodide.

Molecular Properties

Compound Namedi(butan-2-yl)alumanylium iodide
PubChem CID18688218
Molecular FormulaC8H18AlI
Molecular Weight268.12 g/mol
Exact Mass268.03
IUPAC Namedi(butan-2-yl)alumanylium iodide
SMILESCCC(C)[Al+]C(C)CC.[I-]
InChIInChI=1S/2C4H9.Al.HI/c2*1-3-4-2;;/h2*3H,4H2,1-2H3;;1H/q;;+1;/p-1
InChIKeyYLRHWUJHFHWHRG-UHFFFAOYSA-M
XLogP0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 50.13
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 di(butan-2-yl)alumanylium iodide?
The IUPAC name of di(butan-2-yl)alumanylium iodide (CID 18688218) is di(butan-2-yl)alumanylium iodide.
What is the SMILES notation for di(butan-2-yl)alumanylium iodide?
The canonical SMILES for di(butan-2-yl)alumanylium iodide is CCC(C)[Al+]C(C)CC.[I-].
What is the InChIKey of di(butan-2-yl)alumanylium iodide?
The InChIKey is YLRHWUJHFHWHRG-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H9.Al.HI/c2*1-3-4-2;;/h2*3H,4H2,1-2H3;;1H/q;;+1;/p-1.
What are the key properties of di(butan-2-yl)alumanylium iodide?
di(butan-2-yl)alumanylium iodide has a molecular weight of 268.12 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for di(butan-2-yl)alumanylium iodide is sourced from PubChem (CID 18688218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).