Aluminum di(sec-butoxide)acetoacetic ester chelate

• CAS: 24772-51-8
• Catalog Number: ACM24772518
• Category: Organic Aluminium
• Molecular Weight: 302.34
• Molecular Formula: C₁₄H₂₇AlO₅
• Synonyms: ALUMINUM DI-BUTOXIDE ETHYLACETO-ACETATE;ALUMINUM DI-S-BUTOXIDE ETHYLACETOACETATE;ALUMINUM DI(SEC-BUTOXIDE)ACETOACETIC ESTER CHELATE;ASE-M;aluminumdi-sec-butoxideacetoaceticester;o3)-bis(2-butanolato)(ethyl3-oxobutanoato-o1(beta-4)-aluminu;bis(butan-2-olat
• IUPAC Name: aluminum; butan-2-olate; (E)-1-ethoxy-3-oxobut-1-en-1-olate
• SMILES: CCC(C)O[Al](OC(C)CC)OC(=CC(=O)OCC)C
• InChI Key: XEJKLFKEIKLYGR-VFKQLSEOSA-M
• Boiling Point: >200ºC
• Flash Point: >200ºC
• Density: g/cm³
• Appearance: Liquid
• Exact Mass: 302.16700
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Packing Group: III
• Safety Description: S26-S36

Custom Q&A

What is the molecular formula of the aluminum di(sec-butoxide)acetoacetic ester chelate?

The molecular formula is C14H27AlO5.

What are the synonyms for aluminum di(sec-butoxide)acetoacetic ester chelate?

The synonyms are aluminum dis-butoxide ethylacetoacetate and ethyl (Z)-3-di(butan-2-yloxy)alumanyloxybut-2-enoate.

What is the molecular weight of the compound?

The molecular weight is 302.34 g/mol.

What is the IUPAC Name of the compound?

The IUPAC Name is ethyl (Z)-3-di(butan-2-yloxy)alumanyloxybut-2-enoate.

What is the InChIKey of the compound?

The InChIKey is FNZMQCYGPHUYMI-OAWHIZORSA-M.

What is the canonical SMILES of the compound?

The canonical SMILES is CCC(C)O[Al](OC(C)CC)OC(=CC(=O)OCC)C.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of the compound?

The hydrogen bond acceptor count is 5.

What is the rotatable bond count of the compound?

The rotatable bond count is 11.

Is the compound canonicalized?

Yes.