Oxacycloheptadec-10-en-2-one, (10E)-

Base Information

• Chemical Name: Oxacycloheptadec-10-en-2-one, (10E)-
• CAS No.: 63286-42-0
• Molecular Formula: C16H28O2
• European Community (EC) Number: 814-308-5
• UNII: K3X72T3M7I
• DSSTox Substance ID: DTXSID201021122
• Nikkaji Number: J969.838H
• Wikidata: Q27281922
• Mol file: 63286-42-0.mol

Synonyms:9E-isoambrettolide;trans-Isoambrettolide;Isoambrettolide, (E)-;Oxacycloheptadec-10-en-2-one, (10E)-;FEMA no. 4145, E-;UNII-K3X72T3M7I;Oxacycloheptadec-10-en-2-one, (E)-;K3X72T3M7I;63286-42-0;(E)-isoambrettolide;SCHEMBL115339;DTXSID201021122;(10E)-1-oxacycloheptadec-10-en-2-one;Q27281922

Chemical Property of Oxacycloheptadec-10-en-2-one, (10E)-

Chemical Property:

• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 252.208930132
• Heavy Atom Count: 18
• Complexity: 233

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCCC=CCCCCCCOC(=O)CCC1
• Isomeric SMILES: C1CCC/C=C/CCCCCCOC(=O)CCC1