undec-8-enal

• ChemBase ID: 108127
• Molecular Formular: C11H20O
• Molecular Mass: 168.2759
• Monoisotopic Mass: 168.15141526
• SMILES: CC/C=C/CCCCCCC=O
• Canonical SMILES: CC/C=C/CCCCCCC=O
• InChI: InChI=1S/C11H20O/c1-2-3-4-5-6-7-8-9-10-11-12/h3-4,11H,2,5-10H2,1H3
• InChIKey: DWQXOILNGUCNSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-8-enal
• IUPAC Traditional name: undec-8-enal
• Synonyms: cis-8-UNDECEN-1-AL

Database IDs

• PubChem SID: 162106169
• PubChem CID: 6125185

CALCULATED PROPERTIES

• Acid pKa: 15.55538
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5132015
• LogD (pH = 7.4): 3.5132015
• Log P: 3.5132015
• Molar Refractivity: 54.2698 cm^3
• Polarizability: 20.843636 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05206140

MP Biomedicals Rare Chemical collection