pentoxyaluminum(2+) dichloride

C5H11AlCl2O — CID 19936988

IUPACpentoxyaluminum(2+) dichloride
SMILESCCCCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C5H11O.Al.2ClH/c1-2-3-4-5-6;;;/h2-5H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyRNAZUJKZRHTZPH-UHFFFAOYSA-L
MW185.03 g/mol
LogP-4.72
Rot. Bonds4

About pentoxyaluminum(2+) dichloride

pentoxyaluminum(2+) dichloride (PubChem CID 19936988) has the molecular formula C5H11AlCl2O and a molecular weight of 185.03 g/mol. Its IUPAC name is pentoxyaluminum(2+) dichloride.

Molecular Properties

Compound Namepentoxyaluminum(2+) dichloride
PubChem CID19936988
Molecular FormulaC5H11AlCl2O
Molecular Weight185.03 g/mol
Exact Mass184.00
IUPAC Namepentoxyaluminum(2+) dichloride
SMILESCCCCCO[Al+2].[Cl-].[Cl-]
InChIInChI=1S/C5H11O.Al.2ClH/c1-2-3-4-5-6;;;/h2-5H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyRNAZUJKZRHTZPH-UHFFFAOYSA-L
XLogP-4.72
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.03
LogP ≤ 5-4.72
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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Related Compounds

Amylhypochlorit
CID 13752034
Aluminium chloride butan-1-olate (1/2/1)
CID 16692734
Pentan-1-olate;titanium(3+);dichloride
CID 170847370
Dichloro(pentoxy)alumane
CID 16687579
Aluminium chloride hexan-1-olate (1/2/1)
CID 16711130
Trichloro(pentoxy)stannane
CID 17997459
Butoxyaluminum(2+) dichloride
CID 22339080
CID 87322611
CID 87322611
CID 87703259
CID 87703259
CID 88416267
CID 88416267
CID 88651800
CID 88651800
CID 88651802
CID 88651802

Frequently Asked Questions

What is the IUPAC name of pentoxyaluminum(2+) dichloride?
The IUPAC name of pentoxyaluminum(2+) dichloride (CID 19936988) is pentoxyaluminum(2+) dichloride.
What is the SMILES notation for pentoxyaluminum(2+) dichloride?
The canonical SMILES for pentoxyaluminum(2+) dichloride is CCCCCO[Al+2].[Cl-].[Cl-].
What is the InChIKey of pentoxyaluminum(2+) dichloride?
The InChIKey is RNAZUJKZRHTZPH-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H11O.Al.2ClH/c1-2-3-4-5-6;;;/h2-5H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of pentoxyaluminum(2+) dichloride?
pentoxyaluminum(2+) dichloride has a molecular weight of 185.03 g/mol, XLogP of -4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentoxyaluminum(2+) dichloride is sourced from PubChem (CID 19936988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).