(2E,4E)-octa-2,4-dien-1-ol

• ChemBase ID: 110927
• Molecular Formular: C8H14O
• Molecular Mass: 126.19616
• Monoisotopic Mass: 126.10446507
• SMILES: CCC/C=C/C=C/CO
• Canonical SMILES: CCC/C=C/C=C/CO
• InChI: InChI=1S/C8H14O/c1-2-3-4-5-6-7-8-9/h4-7,9H,2-3,8H2,1H3
• InChIKey: LMBAOEUOOJDUBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2E,4E)-octa-2,4-dien-1-ol; octa-2,4-dien-1-ol
• IUPAC Traditional name: (2E,4E)-octa-2,4-dien-1-ol; octa-2,4-dien-1-ol
• Synonyms: 2,4-Octadien-1-ol; (2E,4E)-Octa-2,4-dien-1-ol; 2,4-OCTADIEN-1-OL; 2,4-辛二烯-1-醇

Database IDs

• CAS Number: 56904-85-9; 18409-20-6
• MDL Number: MFCD00014050
• PubChem SID: 162103206
• PubChem CID: 6436488

CALCULATED PROPERTIES

• Acid pKa: 16.20619
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.0156608
• LogD (pH = 7.4): 2.0156608
• Log P: 2.0156608
• Molar Refractivity: 42.6181 cm^3
• Polarizability: 15.621324 Å^3
• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%; 95+%; 97%

DETAILS

MP Biomedicals - 05217030

MP Biomedicals Rare Chemical collection