4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid

Base Information

• Chemical Name: 4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid
• CAS No.: 152821-47-1
• Molecular Formula: C22H38 O4
• Molecular Weight: 366.53
• Metabolomics Workbench ID: 172848
• ChEMBL ID: CHEMBL464588
• Mol file: 152821-47-1.mol

Synonyms:4,6-DHTE-TDTA;4,6-dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid

Chemical Property of 4,6-Dihydroxy-4,6,8,10-tetraethyltetradec-2,7,11-trienoic acid

Chemical Property:

• Vapor Pressure: 2.37E-13mmHg at 25°C
• Boiling Point: 528°Cat760mmHg
• PKA: 4.75±0.10(Predicted)
• Flash Point: 287.2°C
• PSA: 77.76000
• Density: 1.011g/cm³
• LogP: 5.01840
• XLogP3: 5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 366.27700969
• Heavy Atom Count: 26
• Complexity: 506

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC=CC(CC)CC(=CC(CC)(CC(CC)(C=CC(=O)O)O)O)CC
• Isomeric SMILES: CC/C=C/C(CC)C/C(=C/C(CC)(CC(CC)(/C=C/C(=O)O)O)O)/CC