potassium undec-10-enoate

• ChemBase ID: 182735
• Molecular Formular: C11H19KO2
• Molecular Mass: 222.36566
• Monoisotopic Mass: 222.10221153
• SMILES: C(=O)([O-])CCCCCCCCC=C.[K+]
• Canonical SMILES: C=CCCCCCCCCC(=O)[O-].[K+]
• InChI: InChI=1S/C11H20O2.K/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13);/q;+1/p-1
• InChIKey: DEXGNWRKHMRIRB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: potassium undec-10-enoate
• IUPAC Traditional name: potassium undec-10-enoate

Database IDs

• PubChem SID: 164238645
• PubChem CID: 23692638

CALCULATED PROPERTIES

• Acid pKa: 5.0211167
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.1267557
• LogD (pH = 7.4): 1.3787246
• Log P: 3.7297513
• Molar Refractivity: 64.9598 cm^3
• Polarizability: 21.147709 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: K+
• Classification: Derivatives & analogs of Natural Compounds