butoxyaluminum(2+) dichloride

C4H9AlCl2O — CID 22339080

IUPACbutoxyaluminum(2+) dichloride
SMILESCCCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyMRGZQUIZFIEMBS-UHFFFAOYSA-L
MW171.00 g/mol
LogP-5.11
Rot. Bonds3

About butoxyaluminum(2+) dichloride

butoxyaluminum(2+) dichloride (PubChem CID 22339080) has the molecular formula C4H9AlCl2O and a molecular weight of 171.00 g/mol. Its IUPAC name is butoxyaluminum(2+) dichloride.

Molecular Properties

Compound Namebutoxyaluminum(2+) dichloride
PubChem CID22339080
Molecular FormulaC4H9AlCl2O
Molecular Weight171.00 g/mol
Exact Mass169.98
IUPAC Namebutoxyaluminum(2+) dichloride
SMILESCCCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyMRGZQUIZFIEMBS-UHFFFAOYSA-L
XLogP-5.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 5-5.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 butoxyaluminum(2+) dichloride?
The IUPAC name of butoxyaluminum(2+) dichloride (CID 22339080) is butoxyaluminum(2+) dichloride.
What is the SMILES notation for butoxyaluminum(2+) dichloride?
The canonical SMILES for butoxyaluminum(2+) dichloride is CCCCO[Al+2].[Cl-].[Cl-].
What is the InChIKey of butoxyaluminum(2+) dichloride?
The InChIKey is MRGZQUIZFIEMBS-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H9O.Al.2ClH/c1-2-3-4-5;;;/h2-4H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of butoxyaluminum(2+) dichloride?
butoxyaluminum(2+) dichloride has a molecular weight of 171.00 g/mol, XLogP of -5.11, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxyaluminum(2+) dichloride is sourced from PubChem (CID 22339080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).