aluminum butan-2-ol

C4H10AlO+3 — CID 23623700

IUPACaluminum butan-2-ol
SMILESCCC(C)O.[Al+3]
InChIInChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3;/q;+3
InChIKeyUEGVYGKKZVJDDT-UHFFFAOYSA-N
MW101.11 g/mol
LogP0.40
Rot. Bonds1

About aluminum butan-2-ol

aluminum butan-2-ol (PubChem CID 23623700) has the molecular formula C4H10AlO+3 and a molecular weight of 101.11 g/mol. Its IUPAC name is aluminum butan-2-ol.

Molecular Properties

Compound Namealuminum butan-2-ol
PubChem CID23623700
Molecular FormulaC4H10AlO+3
Molecular Weight101.11 g/mol
Exact Mass101.05
IUPAC Namealuminum butan-2-ol
SMILESCCC(C)O.[Al+3]
InChIInChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3;/q;+3
InChIKeyUEGVYGKKZVJDDT-UHFFFAOYSA-N
XLogP0.40
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.11
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

pentakis(butan-2-ol);molybdenum
CID 152613437
CID 157498325
CID 157498325
tris(butan-2-ol);gallane
CID 175569742
butan-2-ol;ethanol
CID 174347632
butan-2-ol;ethanol
CID 87396559
bis(butan-2-ol);carbanide;tantalum
CID 22416357
tetraaluminum;bis(butan-2-ol);trisilicate
CID 175338807
barium(2+);butan-2-ol;hydride;hydrate
CID 174746471
butan-2-ol;methane;pentan-3-ol
CID 160881005
butan-2-ol;pentane
CID 87560104
butan-2-ol;but-2-ene
CID 157060914
bis(butan-2-ol);carbanide;oxovanadium
CID 536550

Frequently Asked Questions

What is the IUPAC name of aluminum butan-2-ol?
The IUPAC name of aluminum butan-2-ol (CID 23623700) is aluminum butan-2-ol.
What is the SMILES notation for aluminum butan-2-ol?
The canonical SMILES for aluminum butan-2-ol is CCC(C)O.[Al+3].
What is the InChIKey of aluminum butan-2-ol?
The InChIKey is UEGVYGKKZVJDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10O.Al/c1-3-4(2)5;/h4-5H,3H2,1-2H3;/q;+3.
What are the key properties of aluminum butan-2-ol?
aluminum butan-2-ol has a molecular weight of 101.11 g/mol, XLogP of 0.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum butan-2-ol is sourced from PubChem (CID 23623700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).