(5E,9E)-tetradeca-1,5,9,13-tetraene

• ChemBase ID: 295551
• Molecular Formular: C14H22
• Molecular Mass: 190.32448
• Monoisotopic Mass: 190.1721507
• SMILES: C=CCC/C=C/CC/C=C/CCC=C
• Canonical SMILES: C=CCC/C=C/CC/C=C/CCC=C
• InChI: InChI=1S/C14H22/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3-4,9-12H,1-2,5-8,13-14H2/b11-9+,12-10+
• InChIKey: DHLQCLRZNQGXIE-WGDLNXRISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5E,9E)-tetradeca-1,5,9,13-tetraene
• IUPAC Traditional name: (5E,9E)-tetradeca-1,5,9,13-tetraene
• Synonyms: 1,5,9,13-Tetradecatetraene; 1,5,9,13-十四-四烯

Database IDs

• CAS Number: 51487-38-8
• MDL Number: MFCD00798572
• PubChem SID: 180681082
• PubChem CID: 5365597

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.355868
• LogD (pH = 7.4): 5.355868
• Log P: 5.355868
• Molar Refractivity: 68.5376 cm^3
• Polarizability: 25.698158 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Refractive Index: 1.4675

Safety Information

• Storage Warning: Air Sensitive
• TSCA Listed: 否

Product Information

• Purity: 95%