2-(2,3-dimethylbutyl)oxaluminane

C10H21AlO — CID 87148594

IUPAC2-(2,3-dimethylbutyl)oxaluminane
SMILESCC(C)C(C)C[Al]1CCCCO1
InChIInChI=1S/C6H13.C4H8O.Al/c1-5(2)6(3)4;1-2-3-4-5;/h5-6H,1H2,2-4H3;1-4H2;/q;-1;+1
InChIKeyIXWVTYTYLXYNGE-UHFFFAOYSA-N
MW184.26 g/mol
LogP3.08
Rot. Bonds3

About 2-(2,3-dimethylbutyl)oxaluminane

2-(2,3-dimethylbutyl)oxaluminane (PubChem CID 87148594) has the molecular formula C10H21AlO and a molecular weight of 184.26 g/mol. Its IUPAC name is 2-(2,3-dimethylbutyl)oxaluminane.

Molecular Properties

Compound Name2-(2,3-dimethylbutyl)oxaluminane
PubChem CID87148594
Molecular FormulaC10H21AlO
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name2-(2,3-dimethylbutyl)oxaluminane
SMILESCC(C)C(C)C[Al]1CCCCO1
InChIInChI=1S/C6H13.C4H8O.Al/c1-5(2)6(3)4;1-2-3-4-5;/h5-6H,1H2,2-4H3;1-4H2;/q;-1;+1
InChIKeyIXWVTYTYLXYNGE-UHFFFAOYSA-N
XLogP3.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutylalumoxane
CID 87063602
t-Butylaluminoxane
CID 87070300
6-Fluoro-2-(2-methylpropyl)oxaluminane
CID 87807496
2-(1-Fluoro-2-methylpropyl)oxaluminane
CID 143389176
2-(2,2-Dimethylpropyl)oxaluminane
CID 87069958
2-(3-Methylbutyl)oxaluminane
CID 87069970
2-(2,3,3-Trimethylbutyl)oxaluminane
CID 87148791
2-(4-Methylpentyl)oxaluminane
CID 87175694
2-(3-Methylbutan-2-yl)oxaluminane
CID 87358960
2-(2-Methylpentyl)oxaluminane
CID 87769547
2-(2,3-Dimethylhexyl)oxaluminane
CID 88187996
CID 88222962
CID 88222962

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylbutyl)oxaluminane?
The IUPAC name of 2-(2,3-dimethylbutyl)oxaluminane (CID 87148594) is 2-(2,3-dimethylbutyl)oxaluminane.
What is the SMILES notation for 2-(2,3-dimethylbutyl)oxaluminane?
The canonical SMILES for 2-(2,3-dimethylbutyl)oxaluminane is CC(C)C(C)C[Al]1CCCCO1.
What is the InChIKey of 2-(2,3-dimethylbutyl)oxaluminane?
The InChIKey is IXWVTYTYLXYNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13.C4H8O.Al/c1-5(2)6(3)4;1-2-3-4-5;/h5-6H,1H2,2-4H3;1-4H2;/q;-1;+1.
What are the key properties of 2-(2,3-dimethylbutyl)oxaluminane?
2-(2,3-dimethylbutyl)oxaluminane has a molecular weight of 184.26 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylbutyl)oxaluminane is sourced from PubChem (CID 87148594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).