Structure

Aluminum tert-butoxide

CAS
556-91-2
Catalog Number
ACM556912-1
Category
Organic Aluminium
Molecular Weight
246.32
Molecular Formula
C12H27AlO3

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Specification

Synonyms
Tris(tert-butoxy) aluminum
IUPAC Name
Aluminum;2-methylpropan-2-olate
Canonical SMILES
CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3]
InChI
InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3
InChI Key
MDDPTCUZZASZIQ-UHFFFAOYSA-N
Boiling Point
156 °C
Melting Point
241 °C
Flash Point
>65 °C
Density
1.0251 g/cm³
Solubility
Very soluble in organic solvents like alcohols, benzene, toluene and xylene
Appearance
Powder
Complexity
25.1
Covalently-Bonded Unit Count
4
Defined Atom Stereocenter Count
0
EC Number
209-146-1
Exact Mass
246.1775581
Formal Charge
0
H-Bond Acceptor
3
H-Bond Donor
0
Heavy Atom Count
16
Hydrogen Bond Acceptor Count
3
Hydrogen Bond Donor Count
0
Monoisotopic Mass
246.1775581
Rotatable Bond Count
0
Topological Polar Surface Area
69.2 Ų
UNII
6D623JMP3R
What is the PubChem CID of Aluminum tert-butoxide?

The PubChem CID of Aluminum tert-butoxide is 68399.

What is the molecular formula of Aluminum tert-butoxide?

The molecular formula of Aluminum tert-butoxide is C12H27AlO3.

What is the molecular weight of Aluminum tert-butoxide?

The molecular weight of Aluminum tert-butoxide is 246.32 g/mol.

What is the IUPAC name of Aluminum tert-butoxide?

The IUPAC name of Aluminum tert-butoxide is aluminum;2-methylpropan-2-olate.

What is the InChI of Aluminum tert-butoxide?

The InChI of Aluminum tert-butoxide is InChI=1S/3C4H9O.Al/c3*1-4(2,3)5;/h3*1-3H3;/q3*-1;+3.

What is the InChIKey of Aluminum tert-butoxide?

The InChIKey of Aluminum tert-butoxide is MDDPTCUZZASZIQ-UHFFFAOYSA-N.

What is the canonical SMILES of Aluminum tert-butoxide?

The canonical SMILES of Aluminum tert-butoxide is CC(C)(C)[O-].CC(C)(C)[O-].CC(C)(C)[O-].[Al+3].

What is the CAS number of Aluminum tert-butoxide?

The CAS number of Aluminum tert-butoxide is 556-91-2.

How many hydrogen bond donor counts does Aluminum tert-butoxide have?

Aluminum tert-butoxide has 0 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Aluminum tert-butoxide have?

Aluminum tert-butoxide has 3 hydrogen bond acceptor counts.

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