zinc(2+) ion bis(undec-10-enoate)

• ChemBase ID: 111628
• Molecular Formular: C22H38O4Zn
• Molecular Mass: 431.91472
• Monoisotopic Mass: 430.2061517
• SMILES: [Zn+2].[O-]C(=O)CCCCCCCCC=C.[O-]C(=O)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)[O-].C=CCCCCCCCCC(=O)[O-].[Zn+2]
• InChI: InChI=1S/2C11H20O2.Zn/c2*1-2-3-4-5-6-7-8-9-10-11(12)13;/h2*2H,1,3-10H2,(H,12,13);/q;;+2/p-2
• InChIKey: YMCOHQVWOBMDCZ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: zinc(2+) ion bis(undec-10-enoate)
• IUPAC Traditional name: zinc, ion (zn2+) bis(undec-10-enoate)
• Synonyms: UNDECYLENIC ACID ZINC SALT; 10-Undecenoic Acid Zinc Salt; ZINC UNDECYLENATE

Database IDs

• CAS Number: 557-08-4
• PubChem SID: 162089397
• PubChem CID: 11179

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: 18
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220097

MP Biomedicals Rare Chemical collection