butan-2-ylaluminum(2+) dichloride

C4H9AlCl2 — CID 18763964

IUPACbutan-2-ylaluminum(2+) dichloride
SMILESCCC(C)[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H9.Al.2ClH/c1-3-4-2;;;/h3H,4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyAIETYAWEMMBIJL-UHFFFAOYSA-L
MW155.00 g/mol
LogP-4.62
Rot. Bonds1

About butan-2-ylaluminum(2+) dichloride

butan-2-ylaluminum(2+) dichloride (PubChem CID 18763964) has the molecular formula C4H9AlCl2 and a molecular weight of 155.00 g/mol. Its IUPAC name is butan-2-ylaluminum(2+) dichloride.

Molecular Properties

Compound Namebutan-2-ylaluminum(2+) dichloride
PubChem CID18763964
Molecular FormulaC4H9AlCl2
Molecular Weight155.00 g/mol
Exact Mass153.99
IUPAC Namebutan-2-ylaluminum(2+) dichloride
SMILESCCC(C)[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H9.Al.2ClH/c1-3-4-2;;;/h3H,4H2,1-2H3;;2*1H/q;+2;;/p-2
InChIKeyAIETYAWEMMBIJL-UHFFFAOYSA-L
XLogP-4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.00
LogP ≤ 5-4.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methylbutane;yttrium
CID 157105537
propan-2-ylaluminum(2+);dichloride;dihydrobromide
CID 172840224
2-methylbutane
CID 159175971
2-methylbutane
CID 158117812
pentan-3-ylaluminum(2+) diiodide
CID 88842100
hydride;pentan-3-ylaluminum(2+)
CID 175014050
butan-2-yl(trimethyl)phosphanium
CID 12980532
triethyl(propan-2-yl)phosphanium chloride
CID 18356193
2-methylbutane;nickel
CID 159021520
dimethyl(pentan-3-yl)azanium chloride
CID 172706957
methane;3-methylpentane
CID 153359275
CID 164983427
CID 164983427

Frequently Asked Questions

What is the IUPAC name of butan-2-ylaluminum(2+) dichloride?
The IUPAC name of butan-2-ylaluminum(2+) dichloride (CID 18763964) is butan-2-ylaluminum(2+) dichloride.
What is the SMILES notation for butan-2-ylaluminum(2+) dichloride?
The canonical SMILES for butan-2-ylaluminum(2+) dichloride is CCC(C)[Al+2].[Cl-].[Cl-].
What is the InChIKey of butan-2-ylaluminum(2+) dichloride?
The InChIKey is AIETYAWEMMBIJL-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9.Al.2ClH/c1-3-4-2;;;/h3H,4H2,1-2H3;;2*1H/q;+2;;/p-2.
What are the key properties of butan-2-ylaluminum(2+) dichloride?
butan-2-ylaluminum(2+) dichloride has a molecular weight of 155.00 g/mol, XLogP of -4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-ylaluminum(2+) dichloride is sourced from PubChem (CID 18763964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).