(octanoyloxy)zincio octanoate

• ChemBase ID: 111577
• Molecular Formular: C16H30O4Zn
• Molecular Mass: 351.787
• Monoisotopic Mass: 350.14355144
• SMILES: CCCCCCCC(=O)O[Zn]OC(=O)CCCCCCC
• Canonical SMILES: CCCCCCCC(=O)O[Zn]OC(=O)CCCCCCC
• InChI: InChI=1S/2C8H16O2.Zn/c2*1-2-3-4-5-6-7-8(9)10;/h2*2-7H2,1H3,(H,9,10);/q;;+2/p-2
• InChIKey: CHJMFFKHPHCQIJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: (octanoyloxy)zincio octanoate
• IUPAC Traditional name: zinc caprylate
• Synonyms: ZINC OCTOATE

Database IDs

• CAS Number: 557-09-5
• PubChem SID: 162096907
• PubChem CID: 25113605

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.356
• LogD (pH = 7.4): 4.356
• Log P: 4.356
• Molar Refractivity: 78.696 cm^3
• Polarizability: 35.06458 Å^3
• Polar Surface Area: 52.6 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: RH0790000
• European Hazard Symbols: Flammable (F)
• Risk Statements: R:15-17
• Safety Statements: S:7/8