undec-10-enoic acid sodium

• ChemBase ID: 107012
• Molecular Formular: C11H20NaO2
• Molecular Mass: 207.26507
• Monoisotopic Mass: 207.13609916
• SMILES: [Na].OC(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)O.[Na]
• InChI: InChI=1S/C11H20O2.Na/c1-2-3-4-5-6-7-8-9-10-11(12)13;/h2H,1,3-10H2,(H,12,13)
• InChIKey: GFPFFNIMDXSBHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: undec-10-enoic acid sodium
• IUPAC Traditional name: desenex potassium
• Synonyms: SODIUM UNDECYLENATE

Database IDs

• CAS Number: 3398-33-2
• PubChem SID: 162094257
• PubChem CID: 24180934

CALCULATED PROPERTIES

• Acid pKa: 5.0211167
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.1267557
• LogD (pH = 7.4): 1.3787246
• Log P: 3.7297513
• Molar Refractivity: 54.1227 cm^3
• Polarizability: 21.256922 Å^3
• Polar Surface Area: 37.3 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05202229

MP Biomedicals Rare Chemical collection