1-[(4-Hydroxy-2-methylpentan-2-yl)trioxidanyl]-4,4-dimethylpentan-1-one

Base Information

• Chemical Name: 1-[(4-Hydroxy-2-methylpentan-2-yl)trioxidanyl]-4,4-dimethylpentan-1-one
• CAS No.: 110972-57-1
• Molecular Formula: C13H26 O4
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID50692914
• Mol file: 110972-57-1.mol

Synonyms:110972-57-1;(4-hydroxy-2-methylpentan-2-yl)oxy 4,4-dimethylpentaneperoxoate;1,1-DIMETHYL-3-HYDROXYBUTYLPEROXY NEOHEPTANOATE;1-[(4-Hydroxy-2-methylpentan-2-yl)trioxidanyl]-4,4-dimethylpentan-1-one;SCHEMBL1837497;DTXSID50692914;YZKFSEGDRNNSMJ-UHFFFAOYSA-N;Neoheptaneperoxoic acid, 3-hydroxy-1,1-dimethylbutyl ester;PEROXYNEOHEPTANOATE, 1,1-DIMETHYL-3-HYDROXY-BUTYL

Chemical Property of 1-[(4-Hydroxy-2-methylpentan-2-yl)trioxidanyl]-4,4-dimethylpentan-1-one

Chemical Property:

• PSA: 64.99000
• LogP: 2.76860
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 262.17802393
• Heavy Atom Count: 18
• Complexity: 255

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(CC(C)(C)OOOC(=O)CCC(C)(C)C)O