5-(Butan-2-yl)cyclohexane-1,3-dione

Base Information

• Chemical Name: 5-(Butan-2-yl)cyclohexane-1,3-dione
• CAS No.: 57641-91-5
• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.236
• DSSTox Substance ID: DTXSID70605364

Synonyms:5-(Butan-2-yl)cyclohexane-1,3-dione;57641-91-5;5-butan-2-ylcyclohexane-1,3-dione;SCHEMBL11579557;DTXSID70605364;SDEMJWNRMQWCQI-UHFFFAOYSA-N;5-sec.-butyl-1,3-cyclohexanedione;AKOS019912535;EN300-204115

Chemical Property of 5-(Butan-2-yl)cyclohexane-1,3-dione

Chemical Property:

• PSA: 34.14000
• LogP: 1.97080
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 168.115029749
• Heavy Atom Count: 12
• Complexity: 180

Purity/Quality:

5-(butan-2-yl)cyclohexane-1,3-dione ^*data from reagent suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1CC(=O)CC(=O)C1

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