butan-1-olate;chloro(ethyl)alumanylium

C6H14AlClO — CID 20502025

IUPACbutan-1-olate;chloro(ethyl)alumanylium
SMILESCCCC[O-].CC[Al+]Cl
InChIInChI=1S/C4H9O.C2H5.Al.ClH/c1-2-3-4-5;1-2;;/h2-4H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1
InChIKeyUMNJJQZAQMCHGV-UHFFFAOYSA-M
MW164.61 g/mol
LogP1.43
Rot. Bonds3

About butan-1-olate;chloro(ethyl)alumanylium

butan-1-olate;chloro(ethyl)alumanylium (PubChem CID 20502025) has the molecular formula C6H14AlClO and a molecular weight of 164.61 g/mol. Its IUPAC name is butan-1-olate;chloro(ethyl)alumanylium.

Molecular Properties

Compound Namebutan-1-olate;chloro(ethyl)alumanylium
PubChem CID20502025
Molecular FormulaC6H14AlClO
Molecular Weight164.61 g/mol
Exact Mass164.05
IUPAC Namebutan-1-olate;chloro(ethyl)alumanylium
SMILESCCCC[O-].CC[Al+]Cl
InChIInChI=1S/C4H9O.C2H5.Al.ClH/c1-2-3-4-5;1-2;;/h2-4H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1
InChIKeyUMNJJQZAQMCHGV-UHFFFAOYSA-M
XLogP1.43
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.61
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of butan-1-olate;chloro(ethyl)alumanylium?
The IUPAC name of butan-1-olate;chloro(ethyl)alumanylium (CID 20502025) is butan-1-olate;chloro(ethyl)alumanylium.
What is the SMILES notation for butan-1-olate;chloro(ethyl)alumanylium?
The canonical SMILES for butan-1-olate;chloro(ethyl)alumanylium is CCCC[O-].CC[Al+]Cl.
What is the InChIKey of butan-1-olate;chloro(ethyl)alumanylium?
The InChIKey is UMNJJQZAQMCHGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H9O.C2H5.Al.ClH/c1-2-3-4-5;1-2;;/h2-4H2,1H3;1H2,2H3;;1H/q-1;;+2;/p-1.
What are the key properties of butan-1-olate;chloro(ethyl)alumanylium?
butan-1-olate;chloro(ethyl)alumanylium has a molecular weight of 164.61 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-olate;chloro(ethyl)alumanylium is sourced from PubChem (CID 20502025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).