buta-1,3-dienylaluminum(2+) dichloride

C4H5AlCl2 — CID 88807207

IUPACbuta-1,3-dienylaluminum(2+) dichloride
SMILESC=CC=C[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H5.Al.2ClH/c1-3-4-2;;;/h1,3-4H,2H2;;2*1H/q;+2;;/p-2
InChIKeyKNQWLKJKMGVKIT-UHFFFAOYSA-L
MW150.97 g/mol
LogP-5.14
Rot. Bonds1

About buta-1,3-dienylaluminum(2+) dichloride

buta-1,3-dienylaluminum(2+) dichloride (PubChem CID 88807207) has the molecular formula C4H5AlCl2 and a molecular weight of 150.97 g/mol. Its IUPAC name is buta-1,3-dienylaluminum(2+) dichloride.

Molecular Properties

Compound Namebuta-1,3-dienylaluminum(2+) dichloride
PubChem CID88807207
Molecular FormulaC4H5AlCl2
Molecular Weight150.97 g/mol
Exact Mass149.96
IUPAC Namebuta-1,3-dienylaluminum(2+) dichloride
SMILESC=CC=C[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H5.Al.2ClH/c1-3-4-2;;;/h1,3-4H,2H2;;2*1H/q;+2;;/p-2
InChIKeyKNQWLKJKMGVKIT-UHFFFAOYSA-L
XLogP-5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.97
LogP ≤ 5-5.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(3E,5E,7E,9E,11E,13E,15E)-octadeca-1,3,5,7,9,11,13,15,17-nonaene
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penta-1,3-diene;zirconium(2+);dichloride
CID 172770091
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
CID 134898449
CID 134898449
[(1E)-buta-1,3-dienyl]azanium
CID 102151090
(3E)-penta-1,3-diene
CID 71777643
(1E)-1-chlorobuta-1,3-diene
CID 5462923
buta-1,3-diene
CID 7845
azanium;hexa-1,3-diene;chloride
CID 161298695
ethane;(3Z)-hexa-1,3,5-triene;propane
CID 142062128
buta-1,3-diene;ethylaluminum(2+);dichloride
CID 22753644
lithium (1E)-buta-1,3-diene-1-thiolate
CID 101484179

Frequently Asked Questions

What is the IUPAC name of buta-1,3-dienylaluminum(2+) dichloride?
The IUPAC name of buta-1,3-dienylaluminum(2+) dichloride (CID 88807207) is buta-1,3-dienylaluminum(2+) dichloride.
What is the SMILES notation for buta-1,3-dienylaluminum(2+) dichloride?
The canonical SMILES for buta-1,3-dienylaluminum(2+) dichloride is C=CC=C[Al+2].[Cl-].[Cl-].
What is the InChIKey of buta-1,3-dienylaluminum(2+) dichloride?
The InChIKey is KNQWLKJKMGVKIT-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H5.Al.2ClH/c1-3-4-2;;;/h1,3-4H,2H2;;2*1H/q;+2;;/p-2.
What are the key properties of buta-1,3-dienylaluminum(2+) dichloride?
buta-1,3-dienylaluminum(2+) dichloride has a molecular weight of 150.97 g/mol, XLogP of -5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for buta-1,3-dienylaluminum(2+) dichloride is sourced from PubChem (CID 88807207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).