2-(2,3,3-trimethylbutyl)oxaluminane

C11H23AlO — CID 87148791

IUPAC2-(2,3,3-trimethylbutyl)oxaluminane
SMILESCC(C[Al]1CCCCO1)C(C)(C)C
InChIInChI=1S/C7H15.C4H8O.Al/c1-6(2)7(3,4)5;1-2-3-4-5;/h6H,1H2,2-5H3;1-4H2;/q;-1;+1
InChIKeyNAFOOMYGDYYXGD-UHFFFAOYSA-N
MW198.29 g/mol
LogP3.47
Rot. Bonds2

About 2-(2,3,3-trimethylbutyl)oxaluminane

2-(2,3,3-trimethylbutyl)oxaluminane (PubChem CID 87148791) has the molecular formula C11H23AlO and a molecular weight of 198.29 g/mol. Its IUPAC name is 2-(2,3,3-trimethylbutyl)oxaluminane.

Molecular Properties

Compound Name2-(2,3,3-trimethylbutyl)oxaluminane
PubChem CID87148791
Molecular FormulaC11H23AlO
Molecular Weight198.29 g/mol
Exact Mass198.16
IUPAC Name2-(2,3,3-trimethylbutyl)oxaluminane
SMILESCC(C[Al]1CCCCO1)C(C)(C)C
InChIInChI=1S/C7H15.C4H8O.Al/c1-6(2)7(3,4)5;1-2-3-4-5;/h6H,1H2,2-5H3;1-4H2;/q;-1;+1
InChIKeyNAFOOMYGDYYXGD-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutylalumoxane
CID 87063602
2-(2,2-Dimethylpropyl)oxaluminane
CID 87069958
2-(3-Methylbutyl)oxaluminane
CID 87069970
2-(2,3-Dimethylbutyl)oxaluminane
CID 87148594
2-(2,4,4-Trimethylpentyl)oxaluminane
CID 87148774
2-(3-Methylbutan-2-yl)oxaluminane
CID 87358960

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,3-trimethylbutyl)oxaluminane?
The IUPAC name of 2-(2,3,3-trimethylbutyl)oxaluminane (CID 87148791) is 2-(2,3,3-trimethylbutyl)oxaluminane.
What is the SMILES notation for 2-(2,3,3-trimethylbutyl)oxaluminane?
The canonical SMILES for 2-(2,3,3-trimethylbutyl)oxaluminane is CC(C[Al]1CCCCO1)C(C)(C)C.
What is the InChIKey of 2-(2,3,3-trimethylbutyl)oxaluminane?
The InChIKey is NAFOOMYGDYYXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15.C4H8O.Al/c1-6(2)7(3,4)5;1-2-3-4-5;/h6H,1H2,2-5H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(2,3,3-trimethylbutyl)oxaluminane?
2-(2,3,3-trimethylbutyl)oxaluminane has a molecular weight of 198.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,3-trimethylbutyl)oxaluminane is sourced from PubChem (CID 87148791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).