Pentanoic acid, 2-acetyl-2-propyl-, methyl ester

Base Information

• Chemical Name: Pentanoic acid, 2-acetyl-2-propyl-, methyl ester
• CAS No.: 109578-13-4
• Molecular Formula: C11H20O3
• Molecular Weight: 200.27500
• DSSTox Substance ID: DTXSID70448793
• Nikkaji Number: J134.998H
• Wikidata: Q82267947
• Mol file: 109578-13-4.mol

Synonyms:109578-13-4;methyl 2-acetyl-2-propylpentanoate;Pentanoic acid, 2-acetyl-2-propyl-, methyl ester;2-Acetyl-2-propylvaleric acid methyl ester;SCHEMBL9723233;DTXSID70448793;methyl2-acetyl-2-propylpentanoate;AKOS018116747;F84743

Chemical Property of Pentanoic acid, 2-acetyl-2-propyl-, methyl ester

Chemical Property:

• PSA: 43.37000
• LogP: 2.33500
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 200.14124450
• Heavy Atom Count: 14
• Complexity: 203

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(CCC)(C(=O)C)C(=O)OC