aluminum tris(propan-1-olate)

C9H21AlO3 — CID 10198143

IUPACaluminum tris(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].[Al+3]
InChIInChI=1S/3C3H7O.Al/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3
InChIKeyOBROYCQXICMORW-UHFFFAOYSA-N
MW204.25 g/mol
LogP-1.11
Rot. Bonds3

About aluminum tris(propan-1-olate)

aluminum tris(propan-1-olate) (PubChem CID 10198143) has the molecular formula C9H21AlO3 and a molecular weight of 204.25 g/mol. Its IUPAC name is aluminum tris(propan-1-olate).

Molecular Properties

Compound Namealuminum tris(propan-1-olate)
PubChem CID10198143
Molecular FormulaC9H21AlO3
Molecular Weight204.25 g/mol
Exact Mass204.13
IUPAC Namealuminum tris(propan-1-olate)
SMILESCCC[O-].CCC[O-].CCC[O-].[Al+3]
InChIInChI=1S/3C3H7O.Al/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3
InChIKeyOBROYCQXICMORW-UHFFFAOYSA-N
XLogP-1.11
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 5-1.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Aluminum isopropoxide
CID 11143
Aluminum butylate
CID 6451513
Aluminum sec-butoxide
CID 61289
Boric acid (H3BO3), tripropyl ester
CID 12711
Zirconium(IV) propoxide
CID 90139
Titanium tetrapropoxide
CID 9903917
Dibutyl peroxide
CID 77458
1-Butanol, antimony(3+) salt (3:1)
CID 102217
Aluminum tributoxide, 95%
CID 16684880
Lead dibutanolate
CID 6455035
Antimony(III) propoxide
CID 16685265
1-Propanol, 2-methyl-, aluminum salt (3:1)
CID 165121

Frequently Asked Questions

What is the IUPAC name of aluminum tris(propan-1-olate)?
The IUPAC name of aluminum tris(propan-1-olate) (CID 10198143) is aluminum tris(propan-1-olate).
What is the SMILES notation for aluminum tris(propan-1-olate)?
The canonical SMILES for aluminum tris(propan-1-olate) is CCC[O-].CCC[O-].CCC[O-].[Al+3].
What is the InChIKey of aluminum tris(propan-1-olate)?
The InChIKey is OBROYCQXICMORW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C3H7O.Al/c3*1-2-3-4;/h3*2-3H2,1H3;/q3*-1;+3.
What are the key properties of aluminum tris(propan-1-olate)?
aluminum tris(propan-1-olate) has a molecular weight of 204.25 g/mol, XLogP of -1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum tris(propan-1-olate) is sourced from PubChem (CID 10198143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).