Aluminum hexafluoro-2,4-pentanedionate

• CAS: 15306-18-0
• Catalog Number: ACM15306180
• Category: Organic Aluminium
• Molecular Weight: 648.13
• Molecular Formula: C₁₅H₃AlF₁₈O₆
• Synonyms: Tris-(1,1,1,5,5,5-hexafluoro-2,4-pentanedionato-O,O'')-aluminum
• IUPAC Name: aluminum; 1,1,1,5,5,5-hexafluoropentane-2,4-dione
• Canonical SMILES: C(=C(C(F)(F)F)O[Al](OC(=CC(=O)C(F)(F)F)C(F)(F)F)OC(=CC(=O)C(F)(F)F)C(F)(F)F)C(=O)C(F)(F)F
• InChI Key: XWIYDVHLPPHXBA-UHFFFAOYSA-N
• Boiling Point: 170 °C
• Melting Point: 70-73 °C
• Flash Point: 30.8ºC
• Density: 170 °C
• Appearance: White to off-white crystal
• Exact Mass: 647.94600
• H-Bond Acceptor: 24
• H-Bond Donor: 0
• Safety Description: 26-36

Custom Q&A

What is the molecular formula of Aluminum hexafluoro-2,4-pentanedionate?

The molecular formula is C15H3AlF18O6.

What is the molecular weight of Aluminum hexafluoro-2,4-pentanedionate?

The molecular weight is 648.13 g/mol.

What is the IUPAC name of Aluminum hexafluoro-2,4-pentanedionate?

The IUPAC name is (Z)-4-bis[[(Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-yl]oxy]alumanyloxy-1,1,1,5,5,5-hexafluoropent-3-en-2-one.

What is the InChI of Aluminum hexafluoro-2,4-pentanedionate?

The InChI is InChI=1S/3C5H2F6O2.Al/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*1,12H;/q;;;+3/p-3/b3*2-1-.

What is the InChIKey of Aluminum hexafluoro-2,4-pentanedionate?

The InChIKey is GEVTXESHPUFYIB-JVUUZWNBSA-K.

What is the canonical SMILES of Aluminum hexafluoro-2,4-pentanedionate?

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

What is the isomeric SMILES of Aluminum hexafluoro-2,4-pentanedionate?

The isomeric SMILES is C(=C(\O[Al](O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F)O/C(=C\C(=O)C(F)(F)F)/C(F)(F)F)/C(F)(F)F)\C(=O)C(F)(F)F.

What is the hydrogen bond donor count of Aluminum hexafluoro-2,4-pentanedionate?

The hydrogen bond donor count is 0.

What is the hydrogen bond acceptor count of Aluminum hexafluoro-2,4-pentanedionate?

The hydrogen bond acceptor count is 24.

Is Aluminum hexafluoro-2,4-pentanedionate a canonicalized compound?

Yes, Aluminum hexafluoro-2,4-pentanedionate is a canonicalized compound.