2,2,6,6-Tetramethylheptane-3,5-dione

• CAS: 1118-71-4
• Catalog Number: ACM1118714
• Category: Organic Phosphine Compounds
• Molecular Weight: 184.279g/mol
• Molecular Formula: C11H20O2
• Synonyms: ANW-16334; MFCD00008848; CHEMBL3186481; ST50825222; YRAJNWYBUCUFBD-UHFFFAOYSA-N; 2,2,6,6-Tetramethyl-3,5-heptanedione, 98%; DTXSID7049396; 3, 2,2,6,6-tetramethyl-; DSSTox_CID_29355; BC205801
• IUPAC Name: 2,2,6,6-tetramethylheptane-3,5-dione
• Canonical SMILES: CC(C)(C)C(=O)CC(=O)C(C)(C)C
• InChI: InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3
• InChI Key: YRAJNWYBUCUFBD-UHFFFAOYSA-N
• Complexity: 189
• Covalently-Bonded Unit Count: 1
• EC Number: 214-268-3
• Exact Mass: 184.146g/mol
• H-Bond Acceptor: 2
• Heavy Atom Count: 13
• Monoisotopic Mass: 184.146g/mol
• NSC Number: 174296
• Rotatable Bond Count: 4
• Topological Polar Surface Area: 34.1A^2
• UNII: R8UI909HOY

Custom Q&A

What is the molecular formula of 2,2,6,6-Tetramethylheptane-3,5-dione?

The molecular formula is C11H20O2.

What is the molecular weight of 2,2,6,6-Tetramethylheptane-3,5-dione?

The molecular weight is 184.27 g/mol.

What is the IUPAC name of 2,2,6,6-Tetramethylheptane-3,5-dione?

The IUPAC name is 2,2,6-tetramethylheptane-3,5-dione.

What is the InChI of 2,2,6,6-Tetramethylheptane-3,5-dione?

The InChI is InChI=1S/C11H20O2/c1-10(2,3)8(12)7-9(13)11(4,5)6/h7H2,1-6H3.

What is the InChIKey of 2,2,6,6-Tetramethylheptane-3,5-dione?

The InChIKey is YRAJNWYBUCUFBD-UHFFFAOYSA-N.

What is the canonical SMILES of 2,2,6,6-Tetramethylheptane-3,5-dione?

The canonical SMILES is CC(C)(C)C(=O)CC(=O)C(C)(C)C.

What is the CAS number of 2,2,6,6-Tetramethylheptane-3,5-dione?

The CAS number is 1118-71-4.

What is the XLogP3-AA value of 2,2,6,6-Tetramethylheptane-3,5-dione?

The XLogP3-AA value is 2.6.

How many hydrogen bond acceptor counts does 2,2,6,6-Tetramethylheptane-3,5-dione have?

2,2,6,6-Tetramethylheptane-3,5-dione has 2 hydrogen bond acceptor counts.