dichloro(pentoxy)alumane

C5H11AlCl2O — CID 16687579

IUPACdichloro(pentoxy)alumane
SMILESCCCCCO[Al](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
LogP2.66
Rot. Bonds5

About dichloro(pentoxy)alumane

dichloro(pentoxy)alumane (PubChem CID 16687579) has the molecular formula C5H11AlCl2O and a molecular weight of 185.03 g/mol. Its IUPAC name is dichloro(pentoxy)alumane.

Molecular Properties

Compound Namedichloro(pentoxy)alumane
PubChem CID16687579
Molecular FormulaC5H11AlCl2O
Molecular Weight185.03 g/mol
Exact Mass184.00
IUPAC Namedichloro(pentoxy)alumane
SMILESCCCCCO[Al](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
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.03
LogP ≤ 52.66
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

Aluminium chloride butan-1-olate (1/2/1)
CID 16692734
Aluminium chloride hexan-1-olate (1/2/1)
CID 16711130
Pentoxyaluminum(2+) dichloride
CID 19936988
Butoxyaluminum(2+) dichloride
CID 22339080
CID 87322611
CID 87322611
CID 87703259
CID 87703259
CID 88416267
CID 88416267
Chloro(pentoxy)alumane
CID 173368617
Pentoxyaluminum(2+)
CID 19936989

Frequently Asked Questions

What is the IUPAC name of dichloro(pentoxy)alumane?
The IUPAC name of dichloro(pentoxy)alumane (CID 16687579) is dichloro(pentoxy)alumane.
What is the SMILES notation for dichloro(pentoxy)alumane?
The canonical SMILES for dichloro(pentoxy)alumane is CCCCCO[Al](Cl)Cl.
What is the InChIKey of dichloro(pentoxy)alumane?
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 dichloro(pentoxy)alumane?
dichloro(pentoxy)alumane has a molecular weight of 185.03 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(pentoxy)alumane is sourced from PubChem (CID 16687579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).