1-[ethyl(methyl)alumanyl]ethanone

C5H11AlO — CID 175027613

IUPAC1-[ethyl(methyl)alumanyl]ethanone
SMILESCC[Al](C)C(C)=O
InChIInChI=1S/C2H3O.C2H5.CH3.Al/c1-2-3;1-2;;/h1H3;1H2,2H3;1H3;
InChIKeyNJGMMGIILDRVIA-UHFFFAOYSA-N
MW114.12 g/mol
LogP1.26
Rot. Bonds2

About 1-[ethyl(methyl)alumanyl]ethanone

1-[ethyl(methyl)alumanyl]ethanone (PubChem CID 175027613) has the molecular formula C5H11AlO and a molecular weight of 114.12 g/mol. Its IUPAC name is 1-[ethyl(methyl)alumanyl]ethanone.

Molecular Properties

Compound Name1-[ethyl(methyl)alumanyl]ethanone
PubChem CID175027613
Molecular FormulaC5H11AlO
Molecular Weight114.12 g/mol
Exact Mass114.06
IUPAC Name1-[ethyl(methyl)alumanyl]ethanone
SMILESCC[Al](C)C(C)=O
InChIInChI=1S/C2H3O.C2H5.CH3.Al/c1-2-3;1-2;;/h1H3;1H2,2H3;1H3;
InChIKeyNJGMMGIILDRVIA-UHFFFAOYSA-N
XLogP1.26
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.12
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[ethyl(methyl)alumanyl]ethanone?
The IUPAC name of 1-[ethyl(methyl)alumanyl]ethanone (CID 175027613) is 1-[ethyl(methyl)alumanyl]ethanone.
What is the SMILES notation for 1-[ethyl(methyl)alumanyl]ethanone?
The canonical SMILES for 1-[ethyl(methyl)alumanyl]ethanone is CC[Al](C)C(C)=O.
What is the InChIKey of 1-[ethyl(methyl)alumanyl]ethanone?
The InChIKey is NJGMMGIILDRVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3O.C2H5.CH3.Al/c1-2-3;1-2;;/h1H3;1H2,2H3;1H3;.
What are the key properties of 1-[ethyl(methyl)alumanyl]ethanone?
1-[ethyl(methyl)alumanyl]ethanone has a molecular weight of 114.12 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethyl(methyl)alumanyl]ethanone is sourced from PubChem (CID 175027613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).