Carbonic acid, 2,5-dihydro-2-methyl-2-octyl-5-oxo-3-thienyl ethyl ester

Base Information

• Chemical Name: Carbonic acid, 2,5-dihydro-2-methyl-2-octyl-5-oxo-3-thienyl ethyl ester
• CAS No.: 646517-61-5
• Molecular Formula: C16H26O4S
• Molecular Weight: 314.44000
• DSSTox Substance ID: DTXSID60457071

Synonyms:646517-61-5;Carbonic acid, 2,5-dihydro-2-methyl-2-octyl-5-oxo-3-thienyl ethyl ester;ethyl (2-methyl-2-octyl-5-oxothiophen-3-yl) carbonate;SCHEMBL13332349;DTXSID60457071

Chemical Property of Carbonic acid, 2,5-dihydro-2-methyl-2-octyl-5-oxo-3-thienyl ethyl ester

Chemical Property:

• PSA: 77.90000
• LogP: 4.82610
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 11
• Exact Mass: 314.15518048
• Heavy Atom Count: 21
• Complexity: 392

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1(C(=CC(=O)S1)OC(=O)OCC)C

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