5-(3-Oxocyclohexyl)pentyl acetate

Base Information

• Chemical Name: 5-(3-Oxocyclohexyl)pentyl acetate
• CAS No.: 180900-71-4
• Molecular Formula: C13H22O3
• DSSTox Substance ID: DTXSID30571834
• Nikkaji Number: J741.127H
• Mol file: 180900-71-4.mol

Synonyms:5-(3-OXOCYCLOHEXYL)PENTYL ACETATE;180900-71-4;DTXSID30571834

Chemical Property of 5-(3-Oxocyclohexyl)pentyl acetate

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 226.15689456
• Heavy Atom Count: 16
• Complexity: 235

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCCCCC1CCCC(=O)C1