butoxy(dichloro)alumane

C4H9AlCl2O — CID 16692734

IUPACbutoxy(dichloro)alumane
SMILESCCCCO[Al](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
LogP2.27
Rot. Bonds4

About butoxy(dichloro)alumane

butoxy(dichloro)alumane (PubChem CID 16692734) has the molecular formula C4H9AlCl2O and a molecular weight of 171.00 g/mol. Its IUPAC name is butoxy(dichloro)alumane.

Molecular Properties

Compound Namebutoxy(dichloro)alumane
PubChem CID16692734
Molecular FormulaC4H9AlCl2O
Molecular Weight171.00 g/mol
Exact Mass169.98
IUPAC Namebutoxy(dichloro)alumane
SMILESCCCCO[Al](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
XLogP2.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.00
LogP ≤ 52.27
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

Butoxyaluminium hydride
CID 87196395
Chloro-ethyl-propoxyalumane
CID 57509106
(s)-Secbutoxy aluminum dichloride
CID 129695663
2-Methyl-butoxy aluminum dichloride
CID 129695673
Dichloro(pentoxy)alumane
CID 16687579
Dichloropropoxyaluminum
CID 16692732
Butoxyaluminum(2+);hydride
CID 18676810
Pentoxyaluminum(2+) dichloride
CID 19936988
Butan-1-olate;chloro(ethyl)alumanylium
CID 20502025
Butan-2-yloxy(dichloro)alumane
CID 21734251
Butoxyaluminum(2+) dichloride
CID 22339080
Dichloro(2-methylpropoxy)alumane
CID 71365669

Frequently Asked Questions

What is the IUPAC name of butoxy(dichloro)alumane?
The IUPAC name of butoxy(dichloro)alumane (CID 16692734) is butoxy(dichloro)alumane.
What is the SMILES notation for butoxy(dichloro)alumane?
The canonical SMILES for butoxy(dichloro)alumane is CCCCO[Al](Cl)Cl.
What is the InChIKey of butoxy(dichloro)alumane?
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 butoxy(dichloro)alumane?
butoxy(dichloro)alumane has a molecular weight of 171.00 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(dichloro)alumane is sourced from PubChem (CID 16692734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).