dichloro(hexoxy)alumane

C6H13AlCl2O — CID 16711130

IUPACdichloro(hexoxy)alumane
SMILESCCCCCCO[Al](Cl)Cl
InChIInChI=1S/C6H13O.Al.2ClH/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNZAXCWOODRJVSJ-UHFFFAOYSA-L
MW199.06 g/mol
LogP3.05
Rot. Bonds6

About dichloro(hexoxy)alumane

dichloro(hexoxy)alumane (PubChem CID 16711130) has the molecular formula C6H13AlCl2O and a molecular weight of 199.06 g/mol. Its IUPAC name is dichloro(hexoxy)alumane.

Molecular Properties

Compound Namedichloro(hexoxy)alumane
PubChem CID16711130
Molecular FormulaC6H13AlCl2O
Molecular Weight199.06 g/mol
Exact Mass198.02
IUPAC Namedichloro(hexoxy)alumane
SMILESCCCCCCO[Al](Cl)Cl
InChIInChI=1S/C6H13O.Al.2ClH/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;;2*1H/q-1;+3;;/p-2
InChIKeyNZAXCWOODRJVSJ-UHFFFAOYSA-L
XLogP3.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.06
LogP ≤ 53.05
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 dichloro(hexoxy)alumane?
The IUPAC name of dichloro(hexoxy)alumane (CID 16711130) is dichloro(hexoxy)alumane.
What is the SMILES notation for dichloro(hexoxy)alumane?
The canonical SMILES for dichloro(hexoxy)alumane is CCCCCCO[Al](Cl)Cl.
What is the InChIKey of dichloro(hexoxy)alumane?
The InChIKey is NZAXCWOODRJVSJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H13O.Al.2ClH/c1-2-3-4-5-6-7;;;/h2-6H2,1H3;;2*1H/q-1;+3;;/p-2.
What are the key properties of dichloro(hexoxy)alumane?
dichloro(hexoxy)alumane has a molecular weight of 199.06 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(hexoxy)alumane is sourced from PubChem (CID 16711130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).