3-Hexyl-6-undecyloxane-2,4-dione

Base Information

• Chemical Name: 3-Hexyl-6-undecyloxane-2,4-dione
• CAS No.: 104801-95-8
• Molecular Formula: C22H40O3
• Molecular Weight: 352.55100
• DSSTox Substance ID: DTXSID90564722
• Mol file: 104801-95-8.mol

Synonyms:104801-95-8;3-HEXYL-6-UNDECYLOXANE-2,4-DIONE;2H-Pyran-2,4(3H)-dione, 3-hexyldihydro-6-undecyl-;3-Hexyl-6-undecyldihydro-2H-pyran-2,4(3H)-dione;3-Hexyldihydro-6-undecyl-2H-pyran-2,4(3H)-dione;SCHEMBL7522403;DTXSID90564722;AKOS030254816;RO 2433-13CD3

Chemical Property of 3-Hexyl-6-undecyloxane-2,4-dione

Chemical Property:

• PSA: 43.37000
• LogP: 6.37850
• Solubility.: Chloroform, Dichloromethane, Ethyl Acetate, Tetrahydrofuran
• XLogP3: 8.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 15
• Exact Mass: 352.29774513
• Heavy Atom Count: 25
• Complexity: 364

Purity/Quality:

99% ^*data from raw suppliers

3-Hexyldihydro-6-undecyl-2H-pyran-2,4(3H)-dione ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCC1CC(=O)C(C(=O)O1)CCCCCC
• Uses: An impurity formed during the preparation of oxetanone derivatives as pancreatic lipase inhibitors.

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