4,12-Tetradecadiene-8,10-diyne-1,6,7-triol

Base Information

• Chemical Name: 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol
• CAS No.: 136171-87-4
• Molecular Formula: C14H18 O3
• Molecular Weight: 234.29
• DSSTox Substance ID: DTXSID50327355
• Wikidata: Q82089070,Q104392114
• Mol file: 136171-87-4.mol

Synonyms:4,12-Tetradecadiene-8,10-diyne-1,6,7-triol;tetradeca-4,12-dien-8,10-diyne-1,6,7-triol;136171-87-4;Tetradeca-4,12-diene-8,10-diyne-1,6,7-triol;DTXSID50327355

Chemical Property of 4,12-Tetradecadiene-8,10-diyne-1,6,7-triol

Chemical Property:

• Boiling Point: 468.3±45.0 °C(Predicted)
• PKA: 11.67±0.20(Predicted)
• PSA: 60.69000
• Density: 1.133±0.06 g/cm3(Predicted)
• LogP: 0.61980
• XLogP3: 1
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 234.125594432
• Heavy Atom Count: 17
• Complexity: 381

Purity/Quality:

≥98% ^*data from raw suppliers

Lobetyol ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC=CC#CC#CC(C(C=CCCCO)O)O