aluminum tris((2S)-butan-2-olate)

C12H27AlO3 — CID 71587331

IUPACaluminum tris((2S)-butan-2-olate)
SMILESCC[C@H](C)[O-].CC[C@H](C)[O-].CC[C@H](C)[O-].[Al+3]
InChIInChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3/t3*4-;/m000./s1
InChIKeyWOZZOSDBXABUFO-FOIRCHMTSA-N
MW246.33 g/mol
LogP0.05
Rot. Bonds3

About aluminum tris((2S)-butan-2-olate)

aluminum tris((2S)-butan-2-olate) (PubChem CID 71587331) has the molecular formula C12H27AlO3 and a molecular weight of 246.33 g/mol. Its IUPAC name is aluminum tris((2S)-butan-2-olate).

Molecular Properties

Compound Namealuminum tris((2S)-butan-2-olate)
PubChem CID71587331
Molecular FormulaC12H27AlO3
Molecular Weight246.33 g/mol
Exact Mass246.18
IUPAC Namealuminum tris((2S)-butan-2-olate)
SMILESCC[C@H](C)[O-].CC[C@H](C)[O-].CC[C@H](C)[O-].[Al+3]
InChIInChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3/t3*4-;/m000./s1
InChIKeyWOZZOSDBXABUFO-FOIRCHMTSA-N
XLogP0.05
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 50.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Triisopropyl borate
CID 21531
Aluminum butylate
CID 6451513
Aluminum sec-butoxide
CID 61289
Titanium isopropoxide
CID 11026
Antimony(3+) tripropan-2-olate
CID 3034303
Chlorotitanium triisopropoxide
CID 3084342
2-Butanol peroxide
CID 162258
Lanthanum isopropoxide
CID 9858075
Tellurium (IV) isopropoxide
CID 15771447
Germanium(IV) isopropoxide
CID 16685043
Zirconium(4+) propan-2-olate
CID 3083750

Frequently Asked Questions

What is the IUPAC name of aluminum tris((2S)-butan-2-olate)?
The IUPAC name of aluminum tris((2S)-butan-2-olate) (CID 71587331) is aluminum tris((2S)-butan-2-olate).
What is the SMILES notation for aluminum tris((2S)-butan-2-olate)?
The canonical SMILES for aluminum tris((2S)-butan-2-olate) is CC[C@H](C)[O-].CC[C@H](C)[O-].CC[C@H](C)[O-].[Al+3].
What is the InChIKey of aluminum tris((2S)-butan-2-olate)?
The InChIKey is WOZZOSDBXABUFO-FOIRCHMTSA-N. The full InChI is InChI=1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3/t3*4-;/m000./s1.
What are the key properties of aluminum tris((2S)-butan-2-olate)?
aluminum tris((2S)-butan-2-olate) has a molecular weight of 246.33 g/mol, XLogP of 0.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris((2S)-butan-2-olate) is sourced from PubChem (CID 71587331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).