lithium(1+) ion octadecanoate

• ChemBase ID: 109731
• Molecular Formular: C18H35LiO2
• Molecular Mass: 290.4103
• Monoisotopic Mass: 290.27970991
• SMILES: [Li+].CCCCCCCCCCCCCCCCCC(=O)[O-]
• Canonical SMILES: CCCCCCCCCCCCCCCCCC(=O)[O-].[Li+]
• InChI: InChI=1S/C18H36O2.Li/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2-17H2,1H3,(H,19,20);/q;+1/p-1
• InChIKey: HGPXWXLYXNVULB-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion octadecanoate
• IUPAC Systematic name: Lithium octadecanoate
• IUPAC Traditional name: LithoTab formula 300; lithium(1+) ion n-octadecanoate
• Synonyms: LITHIUM STEARATE; Lithium stearate; 硬脂酸锂

Database IDs

• CAS Number: 4885-12-5; 4485-12-5
• EC Number: 224-772-5
• MDL Number: MFCD00042032
• PubChem SID: 162089318
• PubChem CID: 20569; 517357
• Chemspider ID: 19369
• Wikipedia Title: Lithium_stearate

CALCULATED PROPERTIES

• Acid pKa: 4.9520197
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 6.4899144
• LogD (pH = 7.4): 4.7307796
• Log P: 7.14572
• Molar Refractivity: 97.1227 cm^3
• Polarizability: 34.295197 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 16
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Powder
• Melting Point: 220°C

Safety Information

• Safety Statements: R
• TSCA Listed: 是