2,2-dimethylbutoxyalumane

C6H15AlO — CID 174485642

IUPAC2,2-dimethylbutoxyalumane
SMILESCCC(C)(C)CO[AlH2]
InChIInChI=1S/C6H13O.Al.2H/c1-4-6(2,3)5-7;;;/h4-5H2,1-3H3;;;/q-1;+1;;
InChIKeyHVCMEEDZRICWSF-UHFFFAOYSA-N
MW130.17 g/mol
LogP0.99
Rot. Bonds3

About 2,2-dimethylbutoxyalumane

2,2-dimethylbutoxyalumane (PubChem CID 174485642) has the molecular formula C6H15AlO and a molecular weight of 130.17 g/mol. Its IUPAC name is 2,2-dimethylbutoxyalumane.

Molecular Properties

Compound Name2,2-dimethylbutoxyalumane
PubChem CID174485642
Molecular FormulaC6H15AlO
Molecular Weight130.17 g/mol
Exact Mass130.09
IUPAC Name2,2-dimethylbutoxyalumane
SMILESCCC(C)(C)CO[AlH2]
InChIInChI=1S/C6H13O.Al.2H/c1-4-6(2,3)5-7;;;/h4-5H2,1-3H3;;;/q-1;+1;;
InChIKeyHVCMEEDZRICWSF-UHFFFAOYSA-N
XLogP0.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.17
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]butane
CID 123698451
1-[1-(2,2-dimethylbutoxy)ethoxy]-2,2-dimethylbutane
CID 54255382
tetrakis(3,3-dimethylpentane);methane
CID 159658641
3,3-dimethylpentane;methane
CID 158185076
3,3-dimethylpentane;2,2-dimethylpropane
CID 173299738
3,3-dimethylpentane;propane
CID 90942978
3,3-dimethylhexane
CID 11233
1-(2,2-dimethylbutoxy)-N-methylmethanamine
CID 155448239
2,2-dimethyl-1-(3-methylbutan-2-yloxy)butane
CID 89381867
2,2-dimethyl-1-(sulfanyloxymethoxy)butane
CID 89299323
2-[3-[2-(2,2-dimethylbutoxy)-2-methylpropoxy]-3-methylbutoxy]-2-methylpropan-1-ol
CID 90360547
2,2-dimethylbutane;3,3-dimethylpentane
CID 160500141

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethylbutoxyalumane?
The IUPAC name of 2,2-dimethylbutoxyalumane (CID 174485642) is 2,2-dimethylbutoxyalumane.
What is the SMILES notation for 2,2-dimethylbutoxyalumane?
The canonical SMILES for 2,2-dimethylbutoxyalumane is CCC(C)(C)CO[AlH2].
What is the InChIKey of 2,2-dimethylbutoxyalumane?
The InChIKey is HVCMEEDZRICWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O.Al.2H/c1-4-6(2,3)5-7;;;/h4-5H2,1-3H3;;;/q-1;+1;;.
What are the key properties of 2,2-dimethylbutoxyalumane?
2,2-dimethylbutoxyalumane has a molecular weight of 130.17 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethylbutoxyalumane is sourced from PubChem (CID 174485642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).