butyl(diethyl)alumane

C8H19Al — CID 16700885

IUPACbutyl(diethyl)alumane
SMILESCCCC[Al](CC)CC
InChIInChI=1S/C4H9.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H2,2H3;
InChIKeyVBFVDLPUQZHMHP-UHFFFAOYSA-N
MW142.22 g/mol
LogP3.32
Rot. Bonds5

About butyl(diethyl)alumane

butyl(diethyl)alumane (PubChem CID 16700885) has the molecular formula C8H19Al and a molecular weight of 142.22 g/mol. Its IUPAC name is butyl(diethyl)alumane.

Molecular Properties

Compound Namebutyl(diethyl)alumane
PubChem CID16700885
Molecular FormulaC8H19Al
Molecular Weight142.22 g/mol
Exact Mass142.13
IUPAC Namebutyl(diethyl)alumane
SMILESCCCC[Al](CC)CC
InChIInChI=1S/C4H9.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H2,2H3;
InChIKeyVBFVDLPUQZHMHP-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of butyl(diethyl)alumane?
The IUPAC name of butyl(diethyl)alumane (CID 16700885) is butyl(diethyl)alumane.
What is the SMILES notation for butyl(diethyl)alumane?
The canonical SMILES for butyl(diethyl)alumane is CCCC[Al](CC)CC.
What is the InChIKey of butyl(diethyl)alumane?
The InChIKey is VBFVDLPUQZHMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3-4H2,2H3;2*1H2,2H3;.
What are the key properties of butyl(diethyl)alumane?
butyl(diethyl)alumane has a molecular weight of 142.22 g/mol, XLogP of 3.32, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for butyl(diethyl)alumane is sourced from PubChem (CID 16700885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).