2-(2-ethylhexyl)oxaluminane

C12H25AlO — CID 87071940

IUPAC2-(2-ethylhexyl)oxaluminane
SMILESCCCCC(CC)C[Al]1CCCCO1
InChIInChI=1S/C8H17.C4H8O.Al/c1-4-6-7-8(3)5-2;1-2-3-4-5;/h8H,3-7H2,1-2H3;1-4H2;/q;-1;+1
InChIKeyTXTRHIBGVGXLFH-UHFFFAOYSA-N
MW212.31 g/mol
LogP4.00
Rot. Bonds6

About 2-(2-ethylhexyl)oxaluminane

2-(2-ethylhexyl)oxaluminane (PubChem CID 87071940) has the molecular formula C12H25AlO and a molecular weight of 212.31 g/mol. Its IUPAC name is 2-(2-ethylhexyl)oxaluminane.

Molecular Properties

Compound Name2-(2-ethylhexyl)oxaluminane
PubChem CID87071940
Molecular FormulaC12H25AlO
Molecular Weight212.31 g/mol
Exact Mass212.17
IUPAC Name2-(2-ethylhexyl)oxaluminane
SMILESCCCCC(CC)C[Al]1CCCCO1
InChIInChI=1S/C8H17.C4H8O.Al/c1-4-6-7-8(3)5-2;1-2-3-4-5;/h8H,3-7H2,1-2H3;1-4H2;/q;-1;+1
InChIKeyTXTRHIBGVGXLFH-UHFFFAOYSA-N
XLogP4.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylhexyl)oxaluminane?
The IUPAC name of 2-(2-ethylhexyl)oxaluminane (CID 87071940) is 2-(2-ethylhexyl)oxaluminane.
What is the SMILES notation for 2-(2-ethylhexyl)oxaluminane?
The canonical SMILES for 2-(2-ethylhexyl)oxaluminane is CCCCC(CC)C[Al]1CCCCO1.
What is the InChIKey of 2-(2-ethylhexyl)oxaluminane?
The InChIKey is TXTRHIBGVGXLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17.C4H8O.Al/c1-4-6-7-8(3)5-2;1-2-3-4-5;/h8H,3-7H2,1-2H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(2-ethylhexyl)oxaluminane?
2-(2-ethylhexyl)oxaluminane has a molecular weight of 212.31 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylhexyl)oxaluminane is sourced from PubChem (CID 87071940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).