aluminum tris(1-methoxypropan-2-olate)

C12H27AlO6 — CID 173049234

IUPACaluminum tris(1-methoxypropan-2-olate)
SMILESCOCC(C)[O-].COCC(C)[O-].COCC(C)[O-].[Al+3]
InChIInChI=1S/3C4H9O2.Al/c3*1-4(5)3-6-2;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyFNTUJMQUEUIGBN-UHFFFAOYSA-N
MW294.32 g/mol
LogP-2.24
Rot. Bonds6

About aluminum tris(1-methoxypropan-2-olate)

aluminum tris(1-methoxypropan-2-olate) (PubChem CID 173049234) has the molecular formula C12H27AlO6 and a molecular weight of 294.32 g/mol. Its IUPAC name is aluminum tris(1-methoxypropan-2-olate).

Molecular Properties

Compound Namealuminum tris(1-methoxypropan-2-olate)
PubChem CID173049234
Molecular FormulaC12H27AlO6
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC Namealuminum tris(1-methoxypropan-2-olate)
SMILESCOCC(C)[O-].COCC(C)[O-].COCC(C)[O-].[Al+3]
InChIInChI=1S/3C4H9O2.Al/c3*1-4(5)3-6-2;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKeyFNTUJMQUEUIGBN-UHFFFAOYSA-N
XLogP-2.24
TPSA96.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 5-2.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

potassium 1-methoxypropan-2-olate
CID 142707794
1-methoxybutan-2-olate
CID 148972331
(2R)-2-chloro-1-methoxypropane
CID 94475219
1,2-dimethoxypropane;holmium
CID 175853773
1-methoxypropan-2-ol chloride
CID 23303898
1,2-dimethoxypropane;thulium
CID 175866702
1,2-dimethoxypropane;ytterbium
CID 175853617
1,4-dimethoxy-2-(methoxymethyl)-3-methylbutane
CID 59866935
(2S)-1-methoxy-3-propan-2-yloxypropan-2-amine
CID 164877074
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
1-methoxypropan-2-ol;propane
CID 159966080
3-methoxy-2-methylpropane-1-thiol
CID 21429472

Frequently Asked Questions

What is the IUPAC name of aluminum tris(1-methoxypropan-2-olate)?
The IUPAC name of aluminum tris(1-methoxypropan-2-olate) (CID 173049234) is aluminum tris(1-methoxypropan-2-olate).
What is the SMILES notation for aluminum tris(1-methoxypropan-2-olate)?
The canonical SMILES for aluminum tris(1-methoxypropan-2-olate) is COCC(C)[O-].COCC(C)[O-].COCC(C)[O-].[Al+3].
What is the InChIKey of aluminum tris(1-methoxypropan-2-olate)?
The InChIKey is FNTUJMQUEUIGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9O2.Al/c3*1-4(5)3-6-2;/h3*4H,3H2,1-2H3;/q3*-1;+3.
What are the key properties of aluminum tris(1-methoxypropan-2-olate)?
aluminum tris(1-methoxypropan-2-olate) has a molecular weight of 294.32 g/mol, XLogP of -2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(1-methoxypropan-2-olate) is sourced from PubChem (CID 173049234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).