Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)

• CAS: 118448-18-3
• Catalog Number: ACM118448183
• Category: Micro/NanoElectronics
• Molecular Weight: 406.6
• Molecular Formula: C22H38CaO4
• Synonyms: Calcium-2,2,6,6-tetramethyl-3,5-heptanedionate
• IUPAC Name: Calcium;(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate
• Canonical SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2]
• InChI: InChI=1S/2C11H20O2.Ca/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;+2/p-2/b2*8-7-
• InChI Key: DOOFPPIHJGRIGW-ATMONBRVSA-L
• Melting Point: 221-224 °C
• Appearance: White powder
• Complexity: 199
• Covalently-Bonded Unit Count: 3
• Exact Mass: 406.2396005
• Formal Charge: 0
• H-Bond Acceptor: 4
• H-Bond Donor: 0
• Heavy Atom Count: 27
• Monoisotopic Mass: 406.2396005
• Rotatable Bond Count: 8
• Topological Polar Surface Area: 80.3 Ų

Custom Q&A

What is the molecular formula of the compound Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

The molecular formula is C22H38CaO4.

What is the molecular weight of Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

The molecular weight is 406.6 g/mol.

What are the synonyms for Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

Some synonyms include BIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)CALCIUM(II) and (Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate.

When was the compound initially created according to the reference?

The compound was created on 2006-07-16.

What are the InChI and InChIKey identifiers for the compound?

The InChI is InChI=1S/2C11H20O2.Ca/c2*1-10(2,3)8(12)7-9(13)11(4,5)6;/h2*7,12H,1-6H3;/q;;+2/p-2/b2*8-7-; and the InChIKey is DOOFPPIHJGRIGW-ATMONBRVSA-L.

What is the Canonical SMILES notation for Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

The Canonical SMILES is CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Ca+2].

How many hydrogen bond acceptor counts does the compound have?

The compound has 4 hydrogen bond acceptor counts.

What is the topological polar surface area of Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

The topological polar surface area is 80.3Ų.

How many defined bond stereocenter counts does the compound have?

The compound has 2 defined bond stereocenter counts.

What is the complexity of Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)calcium(ii)?

The complexity is 199.