but-1-enyl(diethyl)alumane

C8H17Al — CID 57350978

IUPACbut-1-enyl(diethyl)alumane
SMILESCCC=C[Al](CC)CC
InChIInChI=1S/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;
InChIKeyFJUIOMXPUOHENF-UHFFFAOYSA-N
MW140.21 g/mol
LogP3.03
Rot. Bonds4

About but-1-enyl(diethyl)alumane

but-1-enyl(diethyl)alumane (PubChem CID 57350978) has the molecular formula C8H17Al and a molecular weight of 140.21 g/mol. Its IUPAC name is but-1-enyl(diethyl)alumane.

Molecular Properties

Compound Namebut-1-enyl(diethyl)alumane
PubChem CID57350978
Molecular FormulaC8H17Al
Molecular Weight140.21 g/mol
Exact Mass140.11
IUPAC Namebut-1-enyl(diethyl)alumane
SMILESCCC=C[Al](CC)CC
InChIInChI=1S/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;
InChIKeyFJUIOMXPUOHENF-UHFFFAOYSA-N
XLogP3.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of but-1-enyl(diethyl)alumane?
The IUPAC name of but-1-enyl(diethyl)alumane (CID 57350978) is but-1-enyl(diethyl)alumane.
What is the SMILES notation for but-1-enyl(diethyl)alumane?
The canonical SMILES for but-1-enyl(diethyl)alumane is CCC=C[Al](CC)CC.
What is the InChIKey of but-1-enyl(diethyl)alumane?
The InChIKey is FJUIOMXPUOHENF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7.2C2H5.Al/c1-3-4-2;2*1-2;/h1,3H,4H2,2H3;2*1H2,2H3;.
What are the key properties of but-1-enyl(diethyl)alumane?
but-1-enyl(diethyl)alumane has a molecular weight of 140.21 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-enyl(diethyl)alumane is sourced from PubChem (CID 57350978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).