4-(2,5,6,6-Tetramethyl-3-oxocyclohex-1-en-1-yl)butan-2-yl acetate

Base Information

• Chemical Name: 4-(2,5,6,6-Tetramethyl-3-oxocyclohex-1-en-1-yl)butan-2-yl acetate
• CAS No.: 68931-39-5
• Molecular Formula: C₁₆H₂₆O₃
• Molecular Weight: 266.381
• DSSTox Substance ID: DTXSID00702158
• Nikkaji Number: J127.469D
• Mol file: 68931-39-5.mol

Synonyms:68931-39-5;DTXSID00702158;3-(3-Acetyloxybutyl)-2,4,4,5-tetramethyl-2-cyclohexen-1-one;2-Cyclohexen-1-one, 3-[3-(acetyloxy)butyl]-2,4,4,5-tetramethyl-;4-(2,5,6,6-Tetramethyl-3-oxocyclohex-1-en-1-yl)butan-2-yl acetate

Chemical Property of 4-(2,5,6,6-Tetramethyl-3-oxocyclohex-1-en-1-yl)butan-2-yl acetate

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 266.18819469
• Heavy Atom Count: 19
• Complexity: 404

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MSDS Files:

Useful:

• Canonical SMILES: CC1CC(=O)C(=C(C1(C)C)CCC(C)OC(=O)C)C

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