2-butyloxaluminane

C8H17AlO — CID 87064440

IUPAC2-butyloxaluminane
SMILESCCCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-3-4-2;/h1-4H2;1,3-4H2,2H3;/q-1;;+1
InChIKeyWXZYUEVSKZXZMY-UHFFFAOYSA-N
MW156.21 g/mol
LogP2.59
Rot. Bonds3

About 2-butyloxaluminane

2-butyloxaluminane (PubChem CID 87064440) has the molecular formula C8H17AlO and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-butyloxaluminane.

Molecular Properties

Compound Name2-butyloxaluminane
PubChem CID87064440
Molecular FormulaC8H17AlO
Molecular Weight156.21 g/mol
Exact Mass156.11
IUPAC Name2-butyloxaluminane
SMILESCCCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-3-4-2;/h1-4H2;1,3-4H2,2H3;/q-1;;+1
InChIKeyWXZYUEVSKZXZMY-UHFFFAOYSA-N
XLogP2.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Ethylaluminoxane
CID 23260925
Diethylaluminum butoxide
CID 16710546
Methylalumoxane
CID 23511181
CID 59076056
CID 59076056
Isobutylalumoxane
CID 87063602
t-Butylaluminoxane
CID 87070300
Ethoxyalumoxane
CID 129760813
2-Butyl-6-fluorooxaluminane
CID 143389186
2-(1-Fluorobutyl)oxaluminane
CID 173627985
Dibutoxy(butyl)alumane
CID 16703602
Butoxy(ditert-butyl)alumane
CID 16710543
Butan-1-olate;dipropylalumanylium
CID 18688404

Frequently Asked Questions

What is the IUPAC name of 2-butyloxaluminane?
The IUPAC name of 2-butyloxaluminane (CID 87064440) is 2-butyloxaluminane.
What is the SMILES notation for 2-butyloxaluminane?
The canonical SMILES for 2-butyloxaluminane is CCCC[Al]1CCCCO1.
What is the InChIKey of 2-butyloxaluminane?
The InChIKey is WXZYUEVSKZXZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C4H9.Al/c1-2-3-4-5;1-3-4-2;/h1-4H2;1,3-4H2,2H3;/q-1;;+1.
What are the key properties of 2-butyloxaluminane?
2-butyloxaluminane has a molecular weight of 156.21 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyloxaluminane is sourced from PubChem (CID 87064440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).