3,7,11,15-tetramethyl-2E-hexadecenal

Base Information

• Chemical Name: 3,7,11,15-tetramethyl-2E-hexadecenal
• CAS No.: 13754-69-3
• Molecular Formula: C₂₀H₃₈O
• Molecular Weight: 294.521
• ChEMBL ID: CHEMBL593774
• Metabolomics Workbench ID: 28483
• Nikkaji Number: J735.865B,J1.768.749B
• Mol file: 13754-69-3.mol

Synonyms:3,7,11,15-tetramethylhexadec-2-enal;phytal

Chemical Property of 3,7,11,15-tetramethyl-2E-hexadecenal

Chemical Property:

• XLogP3: 8.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 13
• Exact Mass: 294.292265831
• Heavy Atom Count: 21
• Complexity: 278

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MSDS Files:

Useful:

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

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