2-ethyloxaluminane

C6H13AlO — CID 23260925

IUPAC2-ethyloxaluminane
SMILESCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C2H5.Al/c1-2-3-4-5;1-2;/h1-4H2;1H2,2H3;/q-1;;+1
InChIKeyYVSMQHYREUQGRX-UHFFFAOYSA-N
MW128.15 g/mol
LogP1.81
Rot. Bonds1

About 2-ethyloxaluminane

2-ethyloxaluminane (PubChem CID 23260925) has the molecular formula C6H13AlO and a molecular weight of 128.15 g/mol. Its IUPAC name is 2-ethyloxaluminane.

Molecular Properties

Compound Name2-ethyloxaluminane
PubChem CID23260925
Molecular FormulaC6H13AlO
Molecular Weight128.15 g/mol
Exact Mass128.08
IUPAC Name2-ethyloxaluminane
SMILESCC[Al]1CCCCO1
InChIInChI=1S/C4H8O.C2H5.Al/c1-2-3-4-5;1-2;/h1-4H2;1H2,2H3;/q-1;;+1
InChIKeyYVSMQHYREUQGRX-UHFFFAOYSA-N
XLogP1.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyloxaluminane?
The IUPAC name of 2-ethyloxaluminane (CID 23260925) is 2-ethyloxaluminane.
What is the SMILES notation for 2-ethyloxaluminane?
The canonical SMILES for 2-ethyloxaluminane is CC[Al]1CCCCO1.
What is the InChIKey of 2-ethyloxaluminane?
The InChIKey is YVSMQHYREUQGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.C2H5.Al/c1-2-3-4-5;1-2;/h1-4H2;1H2,2H3;/q-1;;+1.
What are the key properties of 2-ethyloxaluminane?
2-ethyloxaluminane has a molecular weight of 128.15 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyloxaluminane is sourced from PubChem (CID 23260925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).